REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wvy_1_B DATA FIRST_RESID 22 DATA SEQUENCE SKKTVEFVDY VNPLMGTEXX XXXXXXNTYP AVAVPWGMNF WSPQTGENGS DATA SEQUENCE GWMYTYTDSL MRGFRQTHQP SPWINDYGTF SIMPLAGELK MSHKERLVPF DATA SEQUENCE SHQQEKATPY NYSVTFNNGL QTSLSATSRG AVFEVSFPEK EDQYVVVDAY DATA SEQUENCE NGGSSITIEP EKRLVKGATR YNNGGVPDNF ANYFMMEFSH PVIEYGTYNG DATA SEQUENCE DTLLHHQTDV AADYTCAYLK FDVPAGEKLT IRTASSFISP EQAAINFNRE DATA SEQUENCE VADADVQLIS GKAREQWNNY LGRVEAEGGT DEQLRTFYSC LYRTLLFPRE DATA SEQUENCE FYEFDSQGNP VYYSPYDGNV HDGYMYTDNG FWDTFRAVHP LFTLLYPEVS DATA SEQUENCE ERVTQSIINA YNESGFMPEW ASPGHRGCMI GNNSVSLLVD AWMKGIQTVD DATA SEQUENCE AEKALEAMIH QTQARHAEIA SVGRDGFEYY DKLGYVPYPE VPEATAKTLE DATA SEQUENCE YAYADWCIAR FAESLGKQDI ADQYYQKAPN YRNLYYPEHG FMWTKDAKGN DATA SEQUENCE WRDRFDATEW GGPFTEGSSW HWTWSVFHDP EGLSELMGGH EPMIARLDSM DATA SEQUENCE FVAPNTYNYG TYGFVIHEIA EMVALNMGQY AHGNQPVQHA IYLYDYIGQP DATA SEQUENCE WKTQYHLRNV MDKLYNSGSK GYCGDEDNGQ TSAWYVFSAM GFYPVCPGMP DATA SEQUENCE EYAIGSPLFK KVTLHLPEGK NFVVSAADNA ADRPYIRKAL LNGQEFTRNY DATA SEQUENCE LTHDELKQGG ELNLSMDSVP NQQRGTQPAD FPYSYSK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.556 174.600 -0.074 0.000 1.055 22 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 22 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 23 K N 1.282 121.638 120.400 -0.074 0.000 2.368 23 K HA 0.397 4.717 4.320 0.000 0.000 0.282 23 K C -0.825 175.710 176.600 -0.109 0.000 1.035 23 K CA 0.212 56.442 56.287 -0.094 0.000 0.973 23 K CB 0.255 32.709 32.500 -0.077 0.000 0.957 23 K HN 0.568 nan 8.250 nan 0.000 0.474 24 K N 2.217 122.528 120.400 -0.149 0.000 2.318 24 K HA 0.179 4.499 4.320 0.000 0.000 0.249 24 K C 0.771 177.282 176.600 -0.148 0.000 0.942 24 K CA -0.741 55.453 56.287 -0.155 0.000 0.808 24 K CB 1.841 34.207 32.500 -0.223 0.000 1.189 24 K HN 0.522 nan 8.250 nan 0.000 0.428 25 T N 0.159 114.643 114.554 -0.117 0.000 2.720 25 T HA -0.075 4.276 4.350 0.000 0.000 0.268 25 T C 0.683 175.297 174.700 -0.143 0.000 1.037 25 T CA 0.976 63.011 62.100 -0.108 0.000 1.144 25 T CB 0.138 68.960 68.868 -0.077 0.000 0.864 25 T HN 0.216 nan 8.240 nan 0.000 0.444 26 V N 2.707 122.520 119.914 -0.170 0.000 2.334 26 V HA 0.317 4.437 4.120 0.000 0.000 0.281 26 V C -0.084 175.806 176.094 -0.340 0.000 1.016 26 V CA -0.843 61.301 62.300 -0.261 0.000 0.832 26 V CB 1.621 33.292 31.823 -0.254 0.000 0.999 26 V HN 0.247 nan 8.190 nan 0.000 0.439 27 E N 2.699 122.676 120.200 -0.371 0.000 2.254 27 E HA 0.367 4.717 4.350 0.000 0.000 0.261 27 E C 0.544 176.917 176.600 -0.379 0.000 1.051 27 E CA -0.561 55.595 56.400 -0.408 0.000 0.902 27 E CB 1.063 30.595 29.700 -0.280 0.000 1.168 27 E HN 0.446 nan 8.360 nan 0.000 0.423 28 F N 0.348 120.198 119.950 -0.167 0.000 2.120 28 F HA -0.193 4.334 4.527 0.000 0.000 0.300 28 F C 2.325 178.008 175.800 -0.196 0.000 1.095 28 F CA 0.790 58.614 58.000 -0.294 0.000 1.249 28 F CB -0.926 37.840 39.000 -0.390 0.000 0.995 28 F HN 0.275 nan 8.300 nan 0.000 0.480 29 V N 0.312 120.266 119.914 0.066 0.000 2.626 29 V HA -0.218 3.902 4.120 0.000 0.000 0.252 29 V C 1.685 177.772 176.094 -0.011 0.000 1.067 29 V CA 1.979 64.318 62.300 0.066 0.000 1.081 29 V CB -0.483 31.415 31.823 0.126 0.000 0.686 29 V HN 0.205 nan 8.190 nan 0.000 0.468 30 D N -0.750 119.572 120.400 -0.130 0.000 2.309 30 D HA -0.152 4.488 4.640 0.000 0.000 0.212 30 D C 1.589 177.746 176.300 -0.239 0.000 0.968 30 D CA 1.215 55.089 54.000 -0.210 0.000 0.882 30 D CB -0.184 40.407 40.800 -0.348 0.000 0.918 30 D HN 0.620 nan 8.370 nan 0.000 0.503 31 Y N 0.291 120.600 120.300 0.015 0.000 2.546 31 Y HA 0.076 4.626 4.550 0.000 0.000 0.287 31 Y C 0.944 176.872 175.900 0.047 0.000 1.158 31 Y CA -0.152 57.995 58.100 0.078 0.000 1.307 31 Y CB 0.073 38.664 38.460 0.218 0.000 1.036 31 Y HN -0.264 nan 8.280 nan 0.000 0.532 32 V N 2.024 121.975 119.914 0.062 0.000 2.488 32 V HA 0.054 4.175 4.120 0.000 0.000 0.277 32 V C -0.081 175.896 176.094 -0.195 0.000 1.046 32 V CA -0.526 61.710 62.300 -0.108 0.000 0.986 32 V CB 0.775 32.364 31.823 -0.390 0.000 0.989 32 V HN 0.213 nan 8.190 nan 0.000 0.475 33 N N 7.079 125.690 118.700 -0.148 0.000 2.558 33 N HA 0.404 5.144 4.740 0.000 0.000 0.242 33 N C -1.988 173.421 175.510 -0.167 0.000 0.979 33 N CA -2.233 50.729 53.050 -0.146 0.000 0.931 33 N CB 2.062 40.509 38.487 -0.067 0.000 1.122 33 N HN 0.204 nan 8.380 nan 0.000 0.508 34 P HA 0.022 nan 4.420 nan 0.000 0.230 34 P C 0.836 178.135 177.300 -0.003 0.000 1.158 34 P CA 0.804 63.813 63.100 -0.152 0.000 0.769 34 P CB 0.335 31.894 31.700 -0.235 0.000 0.807 35 L N -2.199 119.021 121.223 -0.006 0.000 2.558 35 L HA 0.165 4.505 4.340 0.000 0.000 0.225 35 L C 1.384 178.275 176.870 0.035 0.000 1.128 35 L CA -0.183 54.689 54.840 0.053 0.000 0.868 35 L CB -0.504 41.603 42.059 0.080 0.000 1.006 35 L HN 0.059 nan 8.230 nan 0.000 0.454 36 M N 1.044 120.657 119.600 0.022 0.000 2.390 36 M HA 0.131 4.611 4.480 0.000 0.000 0.353 36 M C 1.035 177.434 176.300 0.165 0.000 1.623 36 M CA 1.308 56.623 55.300 0.025 0.000 1.065 36 M CB 0.054 32.644 32.600 -0.017 0.000 2.025 36 M HN 0.282 nan 8.290 nan 0.000 0.461 37 G N 2.478 111.378 108.800 0.166 0.000 2.141 37 G HA2 -0.261 3.699 3.960 0.000 0.000 0.231 37 G HA3 -0.261 3.699 3.960 0.000 0.000 0.231 37 G C 0.374 175.389 174.900 0.192 0.000 0.984 37 G CA 0.540 45.802 45.100 0.271 0.000 0.660 37 G HN 0.911 nan 8.290 nan 0.000 0.525 38 T N -2.475 112.186 114.554 0.177 0.000 3.060 38 T HA 0.466 4.816 4.350 0.000 0.000 0.249 38 T C 0.703 175.550 174.700 0.243 0.000 1.079 38 T CA 1.014 63.285 62.100 0.284 0.000 1.013 38 T CB 0.897 70.056 68.868 0.486 0.000 0.975 38 T HN 0.659 nan 8.240 nan 0.000 0.518 49 T N -0.687 114.001 114.554 0.224 0.000 2.841 49 T HA 0.753 5.103 4.350 0.000 0.000 0.276 49 T C -0.807 174.084 174.700 0.318 0.000 1.003 49 T CA -0.549 61.665 62.100 0.191 0.000 0.995 49 T CB 1.006 69.932 68.868 0.098 0.000 1.260 49 T HN 0.468 nan 8.240 nan 0.000 0.581 50 Y N -2.358 118.066 120.300 0.208 0.000 2.553 50 Y HA 0.722 5.272 4.550 0.000 0.000 0.347 50 Y C -2.952 172.965 175.900 0.029 0.000 1.019 50 Y CA -3.343 54.837 58.100 0.133 0.000 1.032 50 Y CB 0.882 39.438 38.460 0.159 0.000 1.284 50 Y HN 0.388 nan 8.280 nan 0.000 0.466 51 P HA 0.206 nan 4.420 nan 0.000 0.237 51 P C -0.225 177.106 177.300 0.051 0.000 1.788 51 P CA 0.199 63.277 63.100 -0.037 0.000 1.061 51 P CB -0.295 31.308 31.700 -0.162 0.000 1.967 52 A N 2.981 125.851 122.820 0.083 0.000 2.548 52 A HA 0.175 4.495 4.320 0.000 0.000 0.247 52 A C 0.385 177.998 177.584 0.047 0.000 1.067 52 A CA 0.109 52.200 52.037 0.089 0.000 0.757 52 A CB -0.032 18.834 19.000 -0.224 0.000 0.996 52 A HN 0.315 nan 8.150 nan 0.000 0.504 53 V N 2.497 122.470 119.914 0.100 0.000 2.370 53 V HA 0.699 4.819 4.120 0.000 0.000 0.279 53 V C 0.579 176.786 176.094 0.188 0.000 1.029 53 V CA 0.728 63.091 62.300 0.105 0.000 0.870 53 V CB 0.388 32.269 31.823 0.096 0.000 0.984 53 V HN 1.477 nan 8.190 nan 0.000 0.451 54 A N 4.373 127.339 122.820 0.242 0.000 2.511 54 A HA 0.890 5.210 4.320 0.000 0.000 0.293 54 A C -0.951 176.904 177.584 0.451 0.000 1.098 54 A CA -0.069 52.143 52.037 0.292 0.000 0.643 54 A CB 1.534 20.492 19.000 -0.069 0.000 1.302 54 A HN 1.517 nan 8.150 nan 0.000 0.446 55 V N -2.807 117.243 119.914 0.226 0.000 3.019 55 V HA 0.846 4.966 4.120 0.000 0.000 0.317 55 V C -2.987 172.880 176.094 -0.378 0.000 1.094 55 V CA -2.811 59.401 62.300 -0.147 0.000 1.000 55 V CB 1.291 33.050 31.823 -0.106 0.000 1.060 55 V HN 0.610 nan 8.190 nan 0.000 0.443 56 P HA 0.039 nan 4.420 nan 0.000 0.262 56 P C -0.103 176.916 177.300 -0.467 0.000 1.182 56 P CA 0.704 63.101 63.100 -1.172 0.000 0.761 56 P CB -0.085 30.547 31.700 -1.781 0.000 0.795 57 W N 0.207 121.431 121.300 -0.127 0.000 3.904 57 W HA -0.157 4.503 4.660 0.000 0.000 0.312 57 W C 0.667 177.221 176.519 0.058 0.000 1.159 57 W CA 0.802 58.151 57.345 0.006 0.000 0.704 57 W CB -2.461 26.977 29.460 -0.036 0.000 2.209 57 W HN 0.476 nan 8.180 nan 0.000 1.468 58 G N 0.898 109.894 108.800 0.327 0.000 2.432 58 G HA2 0.220 4.180 3.960 0.000 0.000 0.239 58 G HA3 0.220 4.180 3.960 0.000 0.000 0.239 58 G C 0.805 175.788 174.900 0.138 0.000 1.291 58 G CA 0.270 45.536 45.100 0.277 0.000 0.863 58 G HN 0.236 nan 8.290 nan 0.000 0.560 59 M N 1.669 121.324 119.600 0.091 0.000 2.117 59 M HA -0.051 4.429 4.480 0.000 0.000 0.262 59 M C 0.528 176.927 176.300 0.164 0.000 1.065 59 M CA 1.341 56.701 55.300 0.099 0.000 1.114 59 M CB -0.076 32.575 32.600 0.084 0.000 1.361 59 M HN 0.621 nan 8.290 nan 0.000 0.408 60 N N -0.671 118.123 118.700 0.157 0.000 2.314 60 N HA 0.375 5.115 4.740 0.000 0.000 0.294 60 N C -1.580 174.027 175.510 0.160 0.000 1.029 60 N CA -0.764 52.315 53.050 0.048 0.000 0.845 60 N CB 1.421 39.970 38.487 0.104 0.000 1.321 60 N HN -0.055 nan 8.380 nan 0.000 0.481 61 F N 0.708 120.573 119.950 -0.142 0.000 2.483 61 F HA 0.553 5.080 4.527 0.000 0.000 0.329 61 F C -0.302 175.342 175.800 -0.260 0.000 1.064 61 F CA -1.307 56.681 58.000 -0.021 0.000 0.986 61 F CB 0.723 39.775 39.000 0.086 0.000 1.218 61 F HN 0.372 nan 8.300 nan 0.000 0.484 62 W N 0.177 121.585 121.300 0.179 0.000 2.844 62 W HA 0.624 5.284 4.660 0.000 0.000 0.340 62 W C -0.401 176.136 176.519 0.031 0.000 1.093 62 W CA -0.563 56.803 57.345 0.035 0.000 1.212 62 W CB 2.098 31.545 29.460 -0.022 0.000 1.422 62 W HN 0.381 nan 8.180 nan 0.000 0.515 63 S N 3.046 118.853 115.700 0.179 0.000 2.537 63 S HA 0.566 5.037 4.470 0.000 0.000 0.271 63 S C -2.890 171.702 174.600 -0.013 0.000 1.148 63 S CA -1.458 56.764 58.200 0.037 0.000 0.868 63 S CB 1.395 64.597 63.200 0.003 0.000 1.115 63 S HN 0.167 nan 8.310 nan 0.000 0.461 64 P HA 0.144 nan 4.420 nan 0.000 0.269 64 P C -1.393 175.863 177.300 -0.073 0.000 1.215 64 P CA -0.115 62.809 63.100 -0.293 0.000 0.780 64 P CB 0.393 31.831 31.700 -0.437 0.000 0.898 65 Q N 0.809 120.532 119.800 -0.128 0.000 2.310 65 Q HA 0.329 4.669 4.340 0.000 0.000 0.270 65 Q C 0.362 176.370 176.000 0.014 0.000 1.025 65 Q CA -0.428 55.371 55.803 -0.007 0.000 0.772 65 Q CB 1.429 30.140 28.738 -0.046 0.000 1.253 65 Q HN 0.536 nan 8.270 nan 0.000 0.450 66 T N -0.313 114.288 114.554 0.078 0.000 3.018 66 T HA 0.295 4.645 4.350 0.000 0.000 0.246 66 T C 0.860 175.602 174.700 0.070 0.000 1.026 66 T CA 0.452 62.589 62.100 0.062 0.000 1.081 66 T CB 0.233 69.107 68.868 0.010 0.000 0.970 66 T HN 0.520 nan 8.240 nan 0.000 0.475 67 G N 0.992 109.847 108.800 0.093 0.000 2.572 67 G HA2 0.454 4.414 3.960 0.000 0.000 0.261 67 G HA3 0.454 4.414 3.960 0.000 0.000 0.261 67 G C -0.475 174.470 174.900 0.074 0.000 1.197 67 G CA -0.644 44.521 45.100 0.108 0.000 0.870 67 G HN 0.490 nan 8.290 nan 0.000 0.548 68 E N 0.146 120.390 120.200 0.074 0.000 2.418 68 E HA -0.025 4.325 4.350 0.000 0.000 0.261 68 E C -0.005 176.512 176.600 -0.137 0.000 1.070 68 E CA -0.306 56.137 56.400 0.072 0.000 0.931 68 E CB 0.414 30.175 29.700 0.102 0.000 0.954 68 E HN 0.337 nan 8.360 nan 0.000 0.439 69 N N 0.629 119.021 118.700 -0.514 0.000 2.293 69 N HA -0.018 4.722 4.740 0.000 0.000 0.253 69 N C 0.877 176.026 175.510 -0.601 0.000 1.248 69 N CA 1.349 53.873 53.050 -0.877 0.000 0.845 69 N CB 0.624 38.020 38.487 -1.819 0.000 1.073 69 N HN 0.781 nan 8.380 nan 0.000 0.464 70 G N 0.119 108.708 108.800 -0.352 0.000 2.258 70 G HA2 -0.277 3.683 3.960 0.000 0.000 0.233 70 G HA3 -0.277 3.683 3.960 0.000 0.000 0.233 70 G C 0.299 175.157 174.900 -0.069 0.000 1.006 70 G CA 0.382 45.388 45.100 -0.157 0.000 0.620 70 G HN 0.807 nan 8.290 nan 0.000 0.511 71 S N 0.987 116.629 115.700 -0.097 0.000 2.523 71 S HA 0.533 5.003 4.470 0.000 0.000 0.275 71 S C 1.749 176.277 174.600 -0.120 0.000 1.281 71 S CA 0.815 58.940 58.200 -0.126 0.000 1.050 71 S CB 1.127 64.299 63.200 -0.047 0.000 0.937 71 S HN 1.377 nan 8.310 nan 0.000 0.492 72 G N 3.888 112.523 108.800 -0.276 0.000 2.471 72 G HA2 -0.072 3.888 3.960 0.000 0.000 0.219 72 G HA3 -0.072 3.888 3.960 0.000 0.000 0.219 72 G C 0.275 175.159 174.900 -0.028 0.000 1.125 72 G CA -0.023 44.956 45.100 -0.201 0.000 0.775 72 G HN 0.778 nan 8.290 nan 0.000 0.548 73 W N 1.261 122.610 121.300 0.083 0.000 1.864 73 W HA 0.461 5.121 4.660 0.000 0.000 0.425 73 W C 1.187 177.765 176.519 0.099 0.000 0.791 73 W CA -1.423 55.986 57.345 0.107 0.000 1.650 73 W CB -0.470 29.045 29.460 0.091 0.000 1.791 73 W HN 0.110 nan 8.180 nan 0.000 0.266 74 M N 2.014 121.791 119.600 0.294 0.000 2.156 74 M HA -0.107 4.373 4.480 0.000 0.000 0.264 74 M C -0.300 176.150 176.300 0.250 0.000 1.067 74 M CA 1.761 57.166 55.300 0.175 0.000 1.131 74 M CB 0.221 32.835 32.600 0.024 0.000 1.368 74 M HN 0.099 nan 8.290 nan 0.000 0.416 75 Y N 0.393 120.815 120.300 0.205 0.000 2.354 75 Y HA 0.379 4.929 4.550 0.000 0.000 0.330 75 Y C -1.540 174.510 175.900 0.250 0.000 1.011 75 Y CA -0.755 57.474 58.100 0.215 0.000 1.099 75 Y CB 1.668 40.263 38.460 0.224 0.000 1.179 75 Y HN -0.145 nan 8.280 nan 0.000 0.442 76 T N 6.606 121.049 114.554 -0.185 0.000 2.824 76 T HA 0.095 4.445 4.350 0.000 0.000 0.282 76 T C 0.077 174.667 174.700 -0.184 0.000 0.993 76 T CA -0.365 61.703 62.100 -0.055 0.000 0.967 76 T CB 1.001 69.858 68.868 -0.019 0.000 0.960 76 T HN 0.748 nan 8.240 nan 0.000 0.441 77 Y N 3.271 123.558 120.300 -0.022 0.000 2.274 77 Y HA -0.178 4.372 4.550 0.000 0.000 0.290 77 Y C 2.614 178.612 175.900 0.163 0.000 1.145 77 Y CA 2.148 60.303 58.100 0.093 0.000 1.203 77 Y CB -0.179 38.336 38.460 0.092 0.000 0.984 77 Y HN 0.744 nan 8.280 nan 0.000 0.533 78 T N -2.543 112.069 114.554 0.097 0.000 3.118 78 T HA 0.009 4.359 4.350 0.000 0.000 0.260 78 T C 0.281 174.922 174.700 -0.097 0.000 1.139 78 T CA 0.215 62.320 62.100 0.009 0.000 1.085 78 T CB -0.357 68.531 68.868 0.034 0.000 0.934 78 T HN 0.036 nan 8.240 nan 0.000 0.518 79 D N 2.436 122.759 120.400 -0.127 0.000 2.382 79 D HA 0.285 4.925 4.640 0.000 0.000 0.245 79 D C 0.935 177.073 176.300 -0.270 0.000 1.120 79 D CA 0.007 53.923 54.000 -0.140 0.000 0.890 79 D CB 1.440 42.184 40.800 -0.093 0.000 1.201 79 D HN 0.404 nan 8.370 nan 0.000 0.433 80 S N 0.759 116.309 115.700 -0.251 0.000 2.629 80 S HA 0.278 4.748 4.470 0.000 0.000 0.236 80 S C 0.227 174.710 174.600 -0.194 0.000 1.010 80 S CA -0.492 57.432 58.200 -0.460 0.000 0.981 80 S CB -0.005 62.989 63.200 -0.344 0.000 0.919 80 S HN 0.284 nan 8.310 nan 0.000 0.514 81 L N 1.989 123.265 121.223 0.088 0.000 2.409 81 L HA 0.668 5.008 4.340 0.000 0.000 0.272 81 L C -0.726 176.322 176.870 0.296 0.000 0.980 81 L CA -0.739 54.231 54.840 0.218 0.000 0.826 81 L CB 2.066 44.178 42.059 0.087 0.000 1.268 81 L HN 0.202 nan 8.230 nan 0.000 0.407 82 M N 2.453 122.237 119.600 0.306 0.000 2.363 82 M HA 0.457 4.937 4.480 0.000 0.000 0.343 82 M C 0.246 176.547 176.300 0.001 0.000 1.165 82 M CA 0.363 55.726 55.300 0.106 0.000 1.046 82 M CB 1.490 34.111 32.600 0.035 0.000 1.648 82 M HN 0.505 nan 8.290 nan 0.000 0.452 83 R N 2.537 123.009 120.500 -0.046 0.000 2.316 83 R HA 0.527 4.867 4.340 0.000 0.000 0.201 83 R C 0.347 176.614 176.300 -0.054 0.000 0.888 83 R CA 0.049 56.132 56.100 -0.028 0.000 1.041 83 R CB 1.044 31.361 30.300 0.029 0.000 1.115 83 R HN 0.877 nan 8.270 nan 0.000 0.559 84 G N 0.162 108.862 108.800 -0.167 0.000 2.441 84 G HA2 0.412 4.372 3.960 0.000 0.000 0.294 84 G HA3 0.412 4.372 3.960 0.000 0.000 0.294 84 G C -1.841 172.821 174.900 -0.398 0.000 1.393 84 G CA -0.850 44.167 45.100 -0.138 0.000 0.796 84 G HN -0.015 nan 8.290 nan 0.000 0.494 85 F N 1.279 121.348 119.950 0.198 0.000 2.427 85 F HA 0.589 5.116 4.527 0.000 0.000 0.348 85 F C 0.840 176.767 175.800 0.212 0.000 1.125 85 F CA -0.837 57.314 58.000 0.252 0.000 0.989 85 F CB 1.873 41.159 39.000 0.476 0.000 1.165 85 F HN -0.052 nan 8.300 nan 0.000 0.442 86 R N 2.108 122.674 120.500 0.110 0.000 2.404 86 R HA 0.225 4.565 4.340 0.000 0.000 0.291 86 R C -0.267 175.603 176.300 -0.716 0.000 1.025 86 R CA -0.693 55.246 56.100 -0.268 0.000 0.991 86 R CB 1.689 31.806 30.300 -0.305 0.000 1.053 86 R HN 0.690 nan 8.270 nan 0.000 0.479 87 Q N 1.800 120.700 119.800 -1.501 0.000 2.307 87 Q HA 0.116 4.456 4.340 0.000 0.000 0.259 87 Q C -0.860 174.477 176.000 -1.105 0.000 0.998 87 Q CA 0.271 54.924 55.803 -1.917 0.000 0.923 87 Q CB 0.995 28.518 28.738 -2.025 0.000 1.196 87 Q HN 0.510 nan 8.270 nan 0.000 0.416 88 T N 2.385 116.391 114.554 -0.913 0.000 2.916 88 T HA 0.379 4.729 4.350 0.000 0.000 0.292 88 T C -0.266 173.935 174.700 -0.832 0.000 1.055 88 T CA -0.519 61.155 62.100 -0.709 0.000 1.009 88 T CB 1.032 69.600 68.868 -0.500 0.000 1.118 88 T HN 0.756 nan 8.240 nan 0.000 0.497 89 H N 1.267 120.178 119.070 -0.264 0.000 3.233 89 H HA 0.245 4.801 4.556 0.000 0.000 0.263 89 H C 0.521 175.899 175.328 0.084 0.000 1.168 89 H CA -0.260 55.663 56.048 -0.208 0.000 1.159 89 H CB 0.606 30.025 29.762 -0.572 0.000 1.593 89 H HN 0.569 nan 8.280 nan 0.000 0.580 90 Q N 4.087 124.002 119.800 0.192 0.000 2.247 90 Q HA -0.000 4.340 4.340 0.000 0.000 0.288 90 Q C -1.566 174.741 176.000 0.512 0.000 1.079 90 Q CA -1.142 54.843 55.803 0.302 0.000 0.932 90 Q CB 1.113 29.962 28.738 0.184 0.000 1.133 90 Q HN 0.137 nan 8.270 nan 0.000 0.377 91 P HA 0.007 nan 4.420 nan 0.000 0.228 91 P C -0.463 176.856 177.300 0.032 0.000 1.166 91 P CA 0.530 63.618 63.100 -0.019 0.000 0.812 91 P CB 0.513 32.279 31.700 0.110 0.000 0.857 92 S N -2.894 112.916 115.700 0.184 0.000 2.567 92 S HA 0.450 4.920 4.470 0.000 0.000 0.270 92 S C -2.745 171.980 174.600 0.208 0.000 1.152 92 S CA -1.150 57.173 58.200 0.205 0.000 0.835 92 S CB 1.501 64.825 63.200 0.206 0.000 1.115 92 S HN -0.324 nan 8.310 nan 0.000 0.459 93 P HA 0.026 nan 4.420 nan 0.000 0.217 93 P C 0.977 178.306 177.300 0.048 0.000 1.150 93 P CA 0.865 64.061 63.100 0.161 0.000 0.832 93 P CB -0.069 31.812 31.700 0.303 0.000 0.787 94 W N 0.038 121.320 121.300 -0.030 0.000 2.358 94 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 94 W C 1.886 178.308 176.519 -0.161 0.000 1.208 94 W CA 1.243 58.528 57.345 -0.100 0.000 1.274 94 W CB -0.477 28.931 29.460 -0.087 0.000 1.138 94 W HN -0.227 nan 8.180 nan 0.000 0.515 95 I N 0.484 121.056 120.570 0.004 0.000 2.353 95 I HA -0.200 3.970 4.170 0.000 0.000 0.248 95 I C 1.346 177.360 176.117 -0.172 0.000 1.119 95 I CA 1.502 62.695 61.300 -0.178 0.000 1.417 95 I CB -1.631 36.243 38.000 -0.210 0.000 1.078 95 I HN 0.191 nan 8.210 nan 0.000 0.421 96 N N 0.790 119.449 118.700 -0.068 0.000 6.681 96 N HA -0.209 4.531 4.740 0.000 0.000 0.407 96 N C -0.300 175.254 175.510 0.073 0.000 0.934 96 N CA 0.997 54.034 53.050 -0.022 0.000 1.206 96 N CB -0.467 37.963 38.487 -0.095 0.000 0.835 96 N HN 0.185 nan 8.380 nan 0.000 0.310 97 D N -0.946 119.533 120.400 0.132 0.000 2.449 97 D HA 0.739 5.379 4.640 0.000 0.000 0.250 97 D C -0.792 175.652 176.300 0.241 0.000 1.050 97 D CA 0.062 54.148 54.000 0.143 0.000 1.024 97 D CB 0.867 41.695 40.800 0.047 0.000 1.218 97 D HN 0.434 nan 8.370 nan 0.000 0.566 98 Y N -3.114 117.305 120.300 0.199 0.000 2.624 98 Y HA 0.484 5.034 4.550 0.000 0.000 0.334 98 Y C 0.336 176.525 175.900 0.481 0.000 1.155 98 Y CA -1.045 57.191 58.100 0.227 0.000 1.046 98 Y CB 0.966 39.416 38.460 -0.016 0.000 1.316 98 Y HN 0.508 nan 8.280 nan 0.000 0.457 99 G N 0.873 110.093 108.800 0.700 0.000 2.323 99 G HA2 -0.128 3.832 3.960 0.000 0.000 0.292 99 G HA3 -0.128 3.832 3.960 0.000 0.000 0.292 99 G C -0.262 174.803 174.900 0.275 0.000 1.040 99 G CA 0.647 46.090 45.100 0.571 0.000 0.942 99 G HN 1.034 nan 8.290 nan 0.000 0.506 100 T N -0.503 114.086 114.554 0.057 0.000 2.856 100 T HA 0.824 5.174 4.350 0.000 0.000 0.283 100 T C -0.301 174.270 174.700 -0.216 0.000 1.008 100 T CA -0.086 61.845 62.100 -0.282 0.000 0.997 100 T CB 1.049 69.568 68.868 -0.582 0.000 0.992 100 T HN 1.330 nan 8.240 nan 0.000 0.454 101 F N 1.014 120.740 119.950 -0.374 0.000 2.685 101 F HA 0.854 5.382 4.527 0.000 0.000 0.315 101 F C -0.689 175.005 175.800 -0.176 0.000 1.126 101 F CA -1.067 56.784 58.000 -0.249 0.000 0.950 101 F CB 1.167 39.862 39.000 -0.509 0.000 1.360 101 F HN 0.578 nan 8.300 nan 0.000 0.469 102 S N 0.805 116.556 115.700 0.086 0.000 2.595 102 S HA 0.849 5.319 4.470 0.000 0.000 0.281 102 S C -1.448 173.314 174.600 0.271 0.000 1.117 102 S CA -0.765 57.475 58.200 0.066 0.000 0.873 102 S CB 1.916 65.182 63.200 0.109 0.000 1.108 102 S HN 0.798 nan 8.310 nan 0.000 0.477 103 I N 1.684 122.441 120.570 0.312 0.000 2.466 103 I HA 0.518 4.688 4.170 0.000 0.000 0.289 103 I C -1.213 175.100 176.117 0.326 0.000 1.026 103 I CA -0.587 60.870 61.300 0.262 0.000 1.078 103 I CB 2.082 40.103 38.000 0.035 0.000 1.249 103 I HN 0.664 nan 8.210 nan 0.000 0.429 104 M N 9.700 129.464 119.600 0.273 0.000 2.090 104 M HA 0.501 4.981 4.480 0.000 0.000 0.277 104 M C -2.803 173.652 176.300 0.259 0.000 0.935 104 M CA -2.084 53.392 55.300 0.294 0.000 0.966 104 M CB 1.652 34.357 32.600 0.175 0.000 1.635 104 M HN 0.033 nan 8.290 nan 0.000 0.446 105 P HA 0.383 nan 4.420 nan 0.000 0.271 105 P C -1.258 176.182 177.300 0.234 0.000 1.218 105 P CA -0.064 63.206 63.100 0.284 0.000 0.780 105 P CB 0.539 32.332 31.700 0.156 0.000 0.901 106 L N 1.279 122.713 121.223 0.352 0.000 2.422 106 L HA 0.737 5.077 4.340 0.000 0.000 0.264 106 L C -0.349 176.742 176.870 0.369 0.000 0.984 106 L CA -1.044 53.944 54.840 0.247 0.000 0.819 106 L CB 2.334 44.504 42.059 0.186 0.000 1.330 106 L HN 0.298 nan 8.230 nan 0.000 0.410 107 A N 1.433 124.406 122.820 0.254 0.000 2.330 107 A HA 0.911 5.231 4.320 0.000 0.000 0.327 107 A C 0.419 178.098 177.584 0.159 0.000 1.155 107 A CA 0.336 52.514 52.037 0.235 0.000 0.803 107 A CB 1.334 20.476 19.000 0.235 0.000 1.208 107 A HN 1.090 nan 8.150 nan 0.000 0.477 108 G N 0.372 109.255 108.800 0.138 0.000 2.669 108 G HA2 -0.092 3.868 3.960 0.000 0.000 0.250 108 G HA3 -0.092 3.868 3.960 0.000 0.000 0.250 108 G C 0.202 175.190 174.900 0.148 0.000 1.247 108 G CA 0.201 45.366 45.100 0.108 0.000 0.958 108 G HN 1.438 nan 8.290 nan 0.000 0.559 109 E N 0.105 120.344 120.200 0.064 0.000 2.316 109 E HA 0.492 4.842 4.350 0.000 0.000 0.275 109 E C 0.247 176.777 176.600 -0.117 0.000 1.029 109 E CA 0.013 56.407 56.400 -0.010 0.000 0.871 109 E CB 1.137 30.814 29.700 -0.038 0.000 1.022 109 E HN 1.312 nan 8.360 nan 0.000 0.418 110 L N 4.617 125.639 121.223 -0.334 0.000 2.331 110 L HA 0.431 4.771 4.340 0.000 0.000 0.278 110 L C -0.493 176.144 176.870 -0.388 0.000 1.106 110 L CA 0.323 54.765 54.840 -0.664 0.000 0.824 110 L CB 0.642 42.001 42.059 -1.167 0.000 1.142 110 L HN 0.385 nan 8.230 nan 0.000 0.443 111 K N 6.096 126.305 120.400 -0.319 0.000 2.507 111 K HA 0.321 4.641 4.320 0.000 0.000 0.251 111 K C -0.020 176.428 176.600 -0.252 0.000 0.943 111 K CA -0.642 55.498 56.287 -0.246 0.000 0.794 111 K CB 2.006 34.409 32.500 -0.162 0.000 1.188 111 K HN 0.576 nan 8.250 nan 0.000 0.428 112 M N -0.220 119.169 119.600 -0.352 0.000 2.240 112 M HA 0.051 4.531 4.480 0.000 0.000 0.257 112 M C 1.184 177.301 176.300 -0.305 0.000 1.107 112 M CA 0.766 55.807 55.300 -0.432 0.000 1.169 112 M CB -0.844 31.194 32.600 -0.937 0.000 1.307 112 M HN 0.518 nan 8.290 nan 0.000 0.447 113 S N 1.376 116.871 115.700 -0.342 0.000 2.572 113 S HA -0.015 4.455 4.470 0.000 0.000 0.279 113 S C 1.467 176.072 174.600 0.009 0.000 1.341 113 S CA -0.316 57.881 58.200 -0.005 0.000 1.043 113 S CB 0.227 63.448 63.200 0.036 0.000 0.887 113 S HN 0.571 nan 8.310 nan 0.000 0.516 114 H N 4.025 123.173 119.070 0.129 0.000 2.489 114 H HA 0.033 4.589 4.556 0.000 0.000 0.293 114 H C 0.974 176.293 175.328 -0.016 0.000 1.066 114 H CA 1.152 57.215 56.048 0.025 0.000 1.305 114 H CB -0.090 29.646 29.762 -0.043 0.000 1.386 114 H HN 0.588 nan 8.280 nan 0.000 0.551 115 K N 0.677 120.658 120.400 -0.698 0.000 2.439 115 K HA -0.031 4.289 4.320 0.000 0.000 0.197 115 K C 1.039 177.525 176.600 -0.191 0.000 1.041 115 K CA 0.749 56.767 56.287 -0.447 0.000 0.970 115 K CB 0.320 32.571 32.500 -0.415 0.000 0.773 115 K HN 0.622 nan 8.250 nan 0.000 0.479 116 E N -0.059 120.051 120.200 -0.150 0.000 2.508 116 E HA 0.075 4.425 4.350 0.000 0.000 0.217 116 E C -0.103 176.449 176.600 -0.080 0.000 0.896 116 E CA -0.140 56.198 56.400 -0.104 0.000 1.118 116 E CB 0.683 30.314 29.700 -0.116 0.000 1.133 116 E HN 0.071 nan 8.360 nan 0.000 0.526 117 R N 1.996 122.458 120.500 -0.063 0.000 2.612 117 R HA 0.198 4.538 4.340 0.000 0.000 0.273 117 R C -0.816 175.466 176.300 -0.030 0.000 1.376 117 R CA 0.107 56.179 56.100 -0.047 0.000 1.171 117 R CB 0.256 30.543 30.300 -0.022 0.000 1.151 117 R HN -0.116 nan 8.270 nan 0.000 0.560 118 L N 3.673 124.878 121.223 -0.029 0.000 2.343 118 L HA 0.452 4.792 4.340 0.000 0.000 0.278 118 L C -0.330 176.541 176.870 0.001 0.000 0.996 118 L CA -0.813 54.027 54.840 -0.000 0.000 0.831 118 L CB 1.739 43.802 42.059 0.006 0.000 1.232 118 L HN 0.187 nan 8.230 nan 0.000 0.413 119 V N 4.845 124.771 119.914 0.021 0.000 2.407 119 V HA 0.427 4.547 4.120 0.000 0.000 0.291 119 V C -2.185 174.055 176.094 0.243 0.000 1.018 119 V CA -1.782 60.530 62.300 0.021 0.000 0.842 119 V CB 2.152 33.819 31.823 -0.259 0.000 0.996 119 V HN 0.544 nan 8.190 nan 0.000 0.426 120 P HA 0.341 nan 4.420 nan 0.000 0.268 120 P C -0.885 176.679 177.300 0.440 0.000 1.205 120 P CA 0.182 63.422 63.100 0.235 0.000 0.771 120 P CB 0.263 32.025 31.700 0.104 0.000 0.858 121 F N -0.858 119.158 119.950 0.110 0.000 2.685 121 F HA 0.753 5.280 4.527 0.000 0.000 0.315 121 F C -0.963 174.779 175.800 -0.097 0.000 1.126 121 F CA -1.222 56.806 58.000 0.045 0.000 0.950 121 F CB 1.255 40.266 39.000 0.017 0.000 1.360 121 F HN 0.220 nan 8.300 nan 0.000 0.469 122 S N -0.090 115.513 115.700 -0.161 0.000 2.482 122 S HA 0.352 4.822 4.470 0.000 0.000 0.303 122 S C 0.310 174.819 174.600 -0.152 0.000 1.091 122 S CA -0.577 57.442 58.200 -0.301 0.000 1.057 122 S CB 0.642 63.773 63.200 -0.115 0.000 1.031 122 S HN 0.789 nan 8.310 nan 0.000 0.485 123 H N 3.011 122.002 119.070 -0.132 0.000 2.518 123 H HA -0.046 4.510 4.556 0.000 0.000 0.292 123 H C 1.511 176.861 175.328 0.037 0.000 1.068 123 H CA 1.496 57.547 56.048 0.004 0.000 1.275 123 H CB 0.128 29.846 29.762 -0.073 0.000 1.375 123 H HN 0.708 nan 8.280 nan 0.000 0.563 124 Q N -0.062 119.799 119.800 0.101 0.000 2.436 124 Q HA -0.063 4.277 4.340 0.000 0.000 0.209 124 Q C 0.749 176.773 176.000 0.040 0.000 0.965 124 Q CA 0.574 56.416 55.803 0.065 0.000 0.910 124 Q CB 0.399 29.158 28.738 0.035 0.000 0.980 124 Q HN 0.307 nan 8.270 nan 0.000 0.491 125 Q N 0.256 120.081 119.800 0.040 0.000 2.155 125 Q HA 0.175 4.515 4.340 0.000 0.000 0.273 125 Q C -1.003 174.981 176.000 -0.027 0.000 0.857 125 Q CA 0.087 55.891 55.803 0.000 0.000 1.116 125 Q CB 1.054 29.790 28.738 -0.005 0.000 1.209 125 Q HN 0.291 nan 8.270 nan 0.000 0.460 126 E N 0.113 120.316 120.200 0.005 0.000 2.234 126 E HA 0.343 4.693 4.350 0.000 0.000 0.266 126 E C -1.345 175.168 176.600 -0.146 0.000 0.877 126 E CA -0.302 56.056 56.400 -0.070 0.000 0.758 126 E CB 1.545 31.352 29.700 0.178 0.000 1.170 126 E HN -0.250 nan 8.360 nan 0.000 0.415 127 K N 2.635 122.827 120.400 -0.346 0.000 2.616 127 K HA 0.596 4.916 4.320 0.000 0.000 0.241 127 K C -1.354 174.997 176.600 -0.416 0.000 0.961 127 K CA -0.093 56.021 56.287 -0.289 0.000 0.942 127 K CB 1.150 33.513 32.500 -0.228 0.000 1.153 127 K HN 0.584 nan 8.250 nan 0.000 0.452 128 A N 2.871 125.531 122.820 -0.267 0.000 2.260 128 A HA 0.672 4.992 4.320 0.000 0.000 0.308 128 A C 0.347 177.784 177.584 -0.245 0.000 1.254 128 A CA -0.129 51.813 52.037 -0.158 0.000 0.874 128 A CB 0.418 19.450 19.000 0.054 0.000 1.153 128 A HN 0.932 nan 8.150 nan 0.000 0.527 129 T N -0.188 114.149 114.554 -0.362 0.000 2.883 129 T HA 0.675 5.025 4.350 0.000 0.000 0.296 129 T C -2.574 171.772 174.700 -0.590 0.000 1.117 129 T CA -1.663 60.090 62.100 -0.578 0.000 1.006 129 T CB 1.835 70.139 68.868 -0.940 0.000 1.191 129 T HN 0.135 nan 8.240 nan 0.000 0.508 130 P HA 0.013 nan 4.420 nan 0.000 0.221 130 P C 0.871 178.054 177.300 -0.195 0.000 1.150 130 P CA 0.891 63.625 63.100 -0.610 0.000 0.800 130 P CB -0.352 30.549 31.700 -1.332 0.000 0.787 131 Y N -2.151 118.084 120.300 -0.108 0.000 2.458 131 Y HA 0.473 5.023 4.550 0.000 0.000 0.256 131 Y C -0.003 175.890 175.900 -0.011 0.000 1.159 131 Y CA -0.954 57.178 58.100 0.054 0.000 1.261 131 Y CB -0.467 38.050 38.460 0.095 0.000 1.119 131 Y HN -0.187 nan 8.280 nan 0.000 0.524 132 N N -0.139 118.306 118.700 -0.425 0.000 2.827 132 N HA 0.168 4.908 4.740 0.000 0.000 0.248 132 N C -2.437 172.918 175.510 -0.259 0.000 1.074 132 N CA -0.624 52.261 53.050 -0.274 0.000 1.042 132 N CB 0.982 39.350 38.487 -0.198 0.000 1.684 132 N HN 0.216 nan 8.380 nan 0.000 0.542 133 Y N 2.452 122.596 120.300 -0.259 0.000 2.352 133 Y HA 0.712 5.262 4.550 0.000 0.000 0.339 133 Y C -0.918 174.871 175.900 -0.185 0.000 0.992 133 Y CA -0.335 57.648 58.100 -0.195 0.000 1.100 133 Y CB 1.583 39.978 38.460 -0.108 0.000 1.192 133 Y HN 0.452 nan 8.280 nan 0.000 0.458 134 S N 5.337 120.661 115.700 -0.627 0.000 2.538 134 S HA 0.815 5.285 4.470 0.000 0.000 0.288 134 S C -2.145 172.148 174.600 -0.511 0.000 1.108 134 S CA -0.575 57.382 58.200 -0.405 0.000 0.971 134 S CB 1.388 64.421 63.200 -0.278 0.000 1.041 134 S HN 0.749 nan 8.310 nan 0.000 0.483 135 V N 3.720 123.457 119.914 -0.295 0.000 2.932 135 V HA 0.701 4.821 4.120 0.000 0.000 0.307 135 V C -1.107 174.785 176.094 -0.337 0.000 1.147 135 V CA -0.250 61.858 62.300 -0.321 0.000 0.951 135 V CB 2.495 34.133 31.823 -0.309 0.000 1.031 135 V HN 0.954 nan 8.190 nan 0.000 0.426 136 T N 6.973 121.357 114.554 -0.284 0.000 2.772 136 T HA 0.593 4.943 4.350 0.000 0.000 0.288 136 T C -0.519 174.062 174.700 -0.199 0.000 0.994 136 T CA -0.003 61.983 62.100 -0.189 0.000 0.951 136 T CB 0.557 69.390 68.868 -0.058 0.000 0.933 136 T HN 0.390 nan 8.240 nan 0.000 0.447 137 F N 2.035 122.061 119.950 0.127 0.000 2.440 137 F HA 0.216 4.743 4.527 0.000 0.000 0.323 137 F C 1.936 177.808 175.800 0.120 0.000 1.192 137 F CA -0.699 57.396 58.000 0.158 0.000 1.252 137 F CB 0.334 39.424 39.000 0.150 0.000 1.214 137 F HN 0.417 nan 8.300 nan 0.000 0.578 138 N N 1.184 120.070 118.700 0.310 0.000 2.272 138 N HA -0.210 4.530 4.740 0.000 0.000 0.185 138 N C 1.199 176.801 175.510 0.154 0.000 1.014 138 N CA 1.322 54.477 53.050 0.174 0.000 0.870 138 N CB -0.649 37.915 38.487 0.129 0.000 0.975 138 N HN 0.575 nan 8.380 nan 0.000 0.433 139 N N -0.504 118.310 118.700 0.190 0.000 2.521 139 N HA 0.061 4.801 4.740 0.000 0.000 0.188 139 N C 1.138 176.737 175.510 0.148 0.000 1.146 139 N CA 0.898 54.035 53.050 0.145 0.000 0.893 139 N CB -0.180 38.386 38.487 0.131 0.000 0.975 139 N HN 0.234 nan 8.380 nan 0.000 0.451 140 G N -0.223 108.678 108.800 0.168 0.000 2.234 140 G HA2 -0.280 3.680 3.960 0.000 0.000 0.235 140 G HA3 -0.280 3.680 3.960 0.000 0.000 0.235 140 G C -0.145 174.849 174.900 0.157 0.000 0.997 140 G CA 0.144 45.325 45.100 0.135 0.000 0.623 140 G HN 0.495 nan 8.290 nan 0.000 0.514 141 L N 1.420 122.781 121.223 0.230 0.000 2.499 141 L HA 0.480 4.820 4.340 0.000 0.000 0.273 141 L C 0.424 177.442 176.870 0.246 0.000 1.195 141 L CA -0.026 54.951 54.840 0.229 0.000 0.882 141 L CB 0.847 43.069 42.059 0.272 0.000 1.133 141 L HN 0.322 nan 8.230 nan 0.000 0.483 142 Q N 4.235 124.088 119.800 0.088 0.000 2.337 142 Q HA 0.401 4.741 4.340 0.000 0.000 0.266 142 Q C -1.286 174.708 176.000 -0.010 0.000 1.023 142 Q CA -0.396 55.421 55.803 0.022 0.000 0.829 142 Q CB 2.064 30.787 28.738 -0.025 0.000 1.306 142 Q HN 0.720 nan 8.270 nan 0.000 0.449 143 T N 1.174 115.723 114.554 -0.008 0.000 2.916 143 T HA 0.672 5.022 4.350 0.000 0.000 0.305 143 T C -1.490 173.134 174.700 -0.127 0.000 1.119 143 T CA -0.266 61.804 62.100 -0.050 0.000 1.008 143 T CB 1.279 70.158 68.868 0.019 0.000 1.129 143 T HN 0.634 nan 8.240 nan 0.000 0.480 144 S N 4.355 119.954 115.700 -0.169 0.000 2.549 144 S HA 0.839 5.309 4.470 0.000 0.000 0.280 144 S C -1.101 173.285 174.600 -0.357 0.000 1.109 144 S CA -0.863 57.205 58.200 -0.220 0.000 0.905 144 S CB 1.156 64.253 63.200 -0.171 0.000 1.081 144 S HN 1.074 nan 8.310 nan 0.000 0.477 145 L N 0.030 120.982 121.223 -0.452 0.000 2.393 145 L HA 0.987 5.327 4.340 0.000 0.000 0.260 145 L C -0.722 175.895 176.870 -0.421 0.000 1.002 145 L CA -0.759 53.656 54.840 -0.709 0.000 0.818 145 L CB 2.035 43.267 42.059 -1.379 0.000 1.369 145 L HN 0.604 nan 8.230 nan 0.000 0.412 146 S N 0.479 115.942 115.700 -0.396 0.000 2.549 146 S HA 0.912 5.382 4.470 0.000 0.000 0.280 146 S C -0.598 173.867 174.600 -0.225 0.000 1.109 146 S CA -0.472 57.607 58.200 -0.202 0.000 0.905 146 S CB 2.006 65.153 63.200 -0.087 0.000 1.081 146 S HN 1.019 nan 8.310 nan 0.000 0.477 147 A N 1.614 124.394 122.820 -0.066 0.000 2.337 147 A HA 0.895 5.215 4.320 0.000 0.000 0.331 147 A C 0.291 177.926 177.584 0.084 0.000 1.137 147 A CA -0.641 51.396 52.037 0.000 0.000 0.807 147 A CB 0.903 20.022 19.000 0.198 0.000 1.250 147 A HN 0.807 nan 8.150 nan 0.000 0.468 148 T N -1.842 112.772 114.554 0.100 0.000 2.876 148 T HA 0.449 4.799 4.350 0.000 0.000 0.277 148 T C 1.221 176.028 174.700 0.178 0.000 0.997 148 T CA 0.324 62.492 62.100 0.114 0.000 0.966 148 T CB 0.672 69.584 68.868 0.074 0.000 1.312 148 T HN 0.405 nan 8.240 nan 0.000 0.598 149 S N 0.060 115.855 115.700 0.159 0.000 2.370 149 S HA -0.066 4.404 4.470 0.000 0.000 0.226 149 S C 1.788 176.514 174.600 0.209 0.000 1.033 149 S CA 1.253 59.559 58.200 0.176 0.000 1.011 149 S CB -0.342 62.945 63.200 0.145 0.000 0.852 149 S HN 0.662 nan 8.310 nan 0.000 0.457 150 R N -0.533 120.092 120.500 0.208 0.000 2.531 150 R HA 0.305 4.645 4.340 0.000 0.000 0.316 150 R C 0.693 177.168 176.300 0.292 0.000 0.955 150 R CA 0.128 56.368 56.100 0.233 0.000 1.120 150 R CB 1.210 31.622 30.300 0.187 0.000 1.361 150 R HN 0.312 nan 8.270 nan 0.000 0.534 151 G N -0.019 108.938 108.800 0.261 0.000 3.015 151 G HA2 0.808 4.768 3.960 0.000 0.000 0.281 151 G HA3 0.808 4.768 3.960 0.000 0.000 0.281 151 G C -1.602 173.374 174.900 0.126 0.000 1.386 151 G CA -0.326 44.921 45.100 0.244 0.000 0.959 151 G HN 0.133 nan 8.290 nan 0.000 0.522 152 A N -1.585 121.190 122.820 -0.075 0.000 2.612 152 A HA 0.748 5.068 4.320 0.000 0.000 0.293 152 A C -1.704 175.697 177.584 -0.305 0.000 1.075 152 A CA -0.440 51.349 52.037 -0.413 0.000 0.680 152 A CB 1.690 19.934 19.000 -1.261 0.000 1.279 152 A HN 1.415 nan 8.150 nan 0.000 0.411 153 V N 0.937 120.643 119.914 -0.347 0.000 2.638 153 V HA 0.597 4.717 4.120 0.000 0.000 0.306 153 V C -1.134 174.789 176.094 -0.286 0.000 1.052 153 V CA -0.302 61.881 62.300 -0.195 0.000 0.885 153 V CB 1.471 33.206 31.823 -0.146 0.000 0.999 153 V HN 0.739 nan 8.190 nan 0.000 0.424 154 F N 2.494 122.288 119.950 -0.260 0.000 2.492 154 F HA 0.624 5.151 4.527 0.000 0.000 0.327 154 F C 0.481 176.172 175.800 -0.182 0.000 1.079 154 F CA -0.577 57.273 58.000 -0.251 0.000 0.967 154 F CB 1.821 40.668 39.000 -0.256 0.000 1.169 154 F HN 0.615 nan 8.300 nan 0.000 0.472 155 E N 0.849 121.047 120.200 -0.005 0.000 2.212 155 E HA 0.757 5.107 4.350 0.000 0.000 0.268 155 E C -1.831 174.725 176.600 -0.073 0.000 0.902 155 E CA -0.942 55.437 56.400 -0.034 0.000 0.779 155 E CB 2.446 32.113 29.700 -0.054 0.000 1.172 155 E HN 0.333 nan 8.360 nan 0.000 0.409 156 V N 2.100 121.928 119.914 -0.143 0.000 2.577 156 V HA 0.320 4.440 4.120 0.000 0.000 0.303 156 V C -0.794 175.088 176.094 -0.352 0.000 1.042 156 V CA -0.846 61.279 62.300 -0.293 0.000 0.872 156 V CB 2.084 33.608 31.823 -0.498 0.000 0.998 156 V HN 0.783 nan 8.190 nan 0.000 0.423 157 S N 5.062 120.592 115.700 -0.283 0.000 2.461 157 S HA 0.639 5.109 4.470 0.000 0.000 0.322 157 S C -0.546 173.947 174.600 -0.179 0.000 1.063 157 S CA -0.327 57.770 58.200 -0.171 0.000 1.120 157 S CB 0.202 63.362 63.200 -0.066 0.000 0.968 157 S HN 0.438 nan 8.310 nan 0.000 0.467 158 F N 3.598 123.559 119.950 0.017 0.000 2.399 158 F HA 0.369 4.896 4.527 0.000 0.000 0.342 158 F C -1.838 173.982 175.800 0.034 0.000 1.106 158 F CA -2.135 55.886 58.000 0.034 0.000 1.196 158 F CB -0.051 38.955 39.000 0.010 0.000 1.163 158 F HN 0.300 nan 8.300 nan 0.000 0.547 159 P HA 0.206 nan 4.420 nan 0.000 0.268 159 P C -0.326 177.049 177.300 0.126 0.000 1.204 159 P CA -0.099 63.093 63.100 0.154 0.000 0.768 159 P CB 0.088 31.873 31.700 0.142 0.000 0.842 160 E N 1.816 122.068 120.200 0.087 0.000 2.413 160 E HA 0.357 4.707 4.350 0.000 0.000 0.263 160 E C 1.114 177.738 176.600 0.041 0.000 1.015 160 E CA 0.186 56.621 56.400 0.059 0.000 0.916 160 E CB -0.906 28.822 29.700 0.046 0.000 0.947 160 E HN 0.656 nan 8.360 nan 0.000 0.440 161 K N 0.705 121.117 120.400 0.020 0.000 3.339 161 K HA -0.126 4.195 4.320 0.000 0.000 0.299 161 K C 0.048 176.649 176.600 0.002 0.000 1.270 161 K CA 1.744 58.034 56.287 0.006 0.000 0.875 161 K CB -2.431 30.076 32.500 0.013 0.000 1.298 161 K HN 0.793 nan 8.250 nan 0.000 0.485 162 E N 0.788 120.988 120.200 -0.001 0.000 2.312 162 E HA 0.408 4.758 4.350 0.000 0.000 0.267 162 E C -1.039 175.514 176.600 -0.077 0.000 0.894 162 E CA -1.031 55.365 56.400 -0.007 0.000 0.773 162 E CB 1.305 31.030 29.700 0.042 0.000 1.241 162 E HN 0.382 nan 8.360 nan 0.000 0.432 163 D N 1.787 122.127 120.400 -0.100 0.000 2.472 163 D HA 0.018 4.658 4.640 0.000 0.000 0.237 163 D C -0.225 175.846 176.300 -0.381 0.000 1.141 163 D CA 0.665 54.508 54.000 -0.261 0.000 0.875 163 D CB 0.628 41.303 40.800 -0.208 0.000 1.192 163 D HN 0.184 nan 8.370 nan 0.000 0.450 164 Q N 1.349 120.747 119.800 -0.670 0.000 2.333 164 Q HA 0.459 4.799 4.340 0.000 0.000 0.265 164 Q C -1.040 174.534 176.000 -0.711 0.000 0.989 164 Q CA -0.624 54.652 55.803 -0.878 0.000 0.842 164 Q CB 1.499 29.342 28.738 -1.491 0.000 1.262 164 Q HN 0.389 nan 8.270 nan 0.000 0.451 165 Y N 0.024 120.335 120.300 0.018 0.000 2.570 165 Y HA 0.640 5.190 4.550 0.000 0.000 0.345 165 Y C -0.381 175.756 175.900 0.394 0.000 1.014 165 Y CA -1.086 57.118 58.100 0.173 0.000 1.063 165 Y CB 1.785 40.288 38.460 0.071 0.000 1.272 165 Y HN 0.279 nan 8.280 nan 0.000 0.477 166 V N 2.485 122.750 119.914 0.584 0.000 2.588 166 V HA 0.529 4.649 4.120 0.000 0.000 0.304 166 V C -0.932 175.393 176.094 0.385 0.000 1.042 166 V CA -0.932 61.661 62.300 0.488 0.000 0.877 166 V CB 1.866 34.026 31.823 0.561 0.000 0.996 166 V HN 0.514 nan 8.190 nan 0.000 0.425 167 V N 5.076 125.171 119.914 0.302 0.000 2.435 167 V HA 0.481 4.601 4.120 0.000 0.000 0.290 167 V C -0.198 176.050 176.094 0.256 0.000 1.030 167 V CA -0.579 61.868 62.300 0.244 0.000 0.881 167 V CB 1.957 33.868 31.823 0.147 0.000 0.983 167 V HN 0.614 nan 8.190 nan 0.000 0.445 168 V N 3.976 124.046 119.914 0.260 0.000 2.370 168 V HA 0.420 4.540 4.120 0.000 0.000 0.283 168 V C -0.335 175.907 176.094 0.246 0.000 1.023 168 V CA -0.428 62.039 62.300 0.278 0.000 0.857 168 V CB 1.707 33.709 31.823 0.299 0.000 0.985 168 V HN 0.890 nan 8.190 nan 0.000 0.443 169 D N 4.090 124.654 120.400 0.273 0.000 2.425 169 D HA 0.517 5.157 4.640 0.000 0.000 0.240 169 D C 0.346 176.856 176.300 0.349 0.000 1.080 169 D CA -0.425 53.747 54.000 0.287 0.000 0.836 169 D CB 2.222 43.201 40.800 0.298 0.000 1.125 169 D HN 0.564 nan 8.370 nan 0.000 0.525 170 A N 4.142 127.168 122.820 0.342 0.000 2.379 170 A HA 0.258 4.578 4.320 0.000 0.000 0.236 170 A C 0.204 178.079 177.584 0.484 0.000 1.272 170 A CA -0.166 52.104 52.037 0.387 0.000 0.886 170 A CB -0.623 18.610 19.000 0.388 0.000 0.962 170 A HN 0.727 nan 8.150 nan 0.000 0.504 171 Y N -0.764 119.729 120.300 0.321 0.000 2.500 171 Y HA -0.301 4.249 4.550 0.000 0.000 0.037 171 Y C 0.481 176.570 175.900 0.316 0.000 1.695 171 Y CA 0.567 58.794 58.100 0.211 0.000 1.424 171 Y CB -0.293 38.174 38.460 0.011 0.000 2.069 171 Y HN 0.679 nan 8.280 nan 0.000 0.253 172 N N 0.842 119.649 118.700 0.178 0.000 2.538 172 N HA 0.579 5.319 4.740 0.000 0.000 0.292 172 N C 0.811 176.540 175.510 0.364 0.000 1.262 172 N CA -0.043 53.140 53.050 0.221 0.000 0.976 172 N CB 1.390 39.867 38.487 -0.018 0.000 1.161 172 N HN 1.614 nan 8.380 nan 0.000 0.598 173 G N -3.161 105.804 108.800 0.275 0.000 2.144 173 G HA2 0.203 4.163 3.960 0.000 0.000 0.218 173 G HA3 0.203 4.163 3.960 0.000 0.000 0.218 173 G C 0.524 175.542 174.900 0.196 0.000 0.988 173 G CA 0.348 45.598 45.100 0.250 0.000 0.659 173 G HN 1.760 nan 8.290 nan 0.000 0.522 174 G N -1.139 107.769 108.800 0.180 0.000 2.980 174 G HA2 0.424 4.384 3.960 0.000 0.000 0.255 174 G HA3 0.424 4.384 3.960 0.000 0.000 0.255 174 G C 0.125 175.103 174.900 0.130 0.000 1.020 174 G CA 0.778 45.957 45.100 0.131 0.000 1.230 174 G HN 2.229 nan 8.290 nan 0.000 0.580 175 S N -0.452 115.333 115.700 0.142 0.000 2.689 175 S HA 0.950 5.420 4.470 0.000 0.000 0.306 175 S C 0.146 174.791 174.600 0.074 0.000 1.104 175 S CA 0.165 58.444 58.200 0.132 0.000 0.973 175 S CB 2.615 65.946 63.200 0.218 0.000 1.121 175 S HN 2.194 nan 8.310 nan 0.000 0.523 176 S N -0.247 115.479 115.700 0.044 0.000 2.556 176 S HA 0.798 5.268 4.470 0.000 0.000 0.271 176 S C -1.214 173.371 174.600 -0.026 0.000 1.135 176 S CA -0.911 57.289 58.200 0.001 0.000 0.858 176 S CB 0.753 63.937 63.200 -0.026 0.000 1.114 176 S HN 0.795 nan 8.310 nan 0.000 0.468 177 I N 1.588 122.141 120.570 -0.028 0.000 2.656 177 I HA 0.499 4.669 4.170 0.000 0.000 0.292 177 I C -0.905 175.176 176.117 -0.060 0.000 1.144 177 I CA -0.623 60.655 61.300 -0.037 0.000 1.038 177 I CB 2.892 40.924 38.000 0.052 0.000 1.244 177 I HN 0.936 nan 8.210 nan 0.000 0.420 178 T N 3.691 118.191 114.554 -0.090 0.000 2.841 178 T HA 0.717 5.067 4.350 0.000 0.000 0.285 178 T C -0.615 174.031 174.700 -0.090 0.000 0.991 178 T CA -0.606 61.439 62.100 -0.091 0.000 0.966 178 T CB 1.410 70.214 68.868 -0.106 0.000 0.962 178 T HN 0.308 nan 8.240 nan 0.000 0.438 179 I N 2.513 123.012 120.570 -0.118 0.000 2.359 179 I HA 0.346 4.516 4.170 0.000 0.000 0.294 179 I C 0.227 176.210 176.117 -0.223 0.000 0.987 179 I CA -0.729 60.472 61.300 -0.164 0.000 1.225 179 I CB 1.524 39.372 38.000 -0.252 0.000 1.366 179 I HN 0.709 nan 8.210 nan 0.000 0.466 180 E N 7.931 128.021 120.200 -0.182 0.000 2.546 180 E HA 0.191 4.541 4.350 0.000 0.000 0.227 180 E C -1.892 174.588 176.600 -0.200 0.000 1.009 180 E CA -1.589 54.700 56.400 -0.185 0.000 0.813 180 E CB 1.097 30.729 29.700 -0.113 0.000 1.269 180 E HN 0.413 nan 8.360 nan 0.000 0.432 181 P HA -0.253 nan 4.420 nan 0.000 0.216 181 P C 1.321 178.537 177.300 -0.140 0.000 1.153 181 P CA 1.350 64.243 63.100 -0.345 0.000 0.848 181 P CB 0.318 31.603 31.700 -0.691 0.000 0.787 182 E N 1.472 121.603 120.200 -0.115 0.000 2.153 182 E HA -0.191 4.159 4.350 0.000 0.000 0.194 182 E C 1.531 178.124 176.600 -0.013 0.000 0.988 182 E CA 1.358 57.734 56.400 -0.041 0.000 0.811 182 E CB -0.894 28.784 29.700 -0.036 0.000 0.746 182 E HN 0.295 nan 8.360 nan 0.000 0.466 183 K N 0.315 120.701 120.400 -0.024 0.000 2.444 183 K HA 0.146 4.466 4.320 0.000 0.000 0.193 183 K C 0.048 176.679 176.600 0.052 0.000 1.024 183 K CA 0.017 56.306 56.287 0.003 0.000 1.077 183 K CB 0.189 32.675 32.500 -0.023 0.000 0.833 183 K HN 0.036 nan 8.250 nan 0.000 0.517 184 R N 0.649 121.192 120.500 0.073 0.000 3.525 184 R HA -0.165 4.175 4.340 0.000 0.000 0.276 184 R C -0.828 175.646 176.300 0.290 0.000 1.116 184 R CA 0.380 56.599 56.100 0.200 0.000 0.745 184 R CB -2.162 28.300 30.300 0.270 0.000 1.185 184 R HN 0.148 nan 8.270 nan 0.000 0.454 185 L N -0.121 121.194 121.223 0.153 0.000 2.342 185 L HA 0.737 5.077 4.340 0.000 0.000 0.271 185 L C 0.067 177.021 176.870 0.140 0.000 1.008 185 L CA -1.284 53.633 54.840 0.129 0.000 0.818 185 L CB 2.287 44.339 42.059 -0.011 0.000 1.296 185 L HN -0.203 nan 8.230 nan 0.000 0.427 186 V N 2.022 122.044 119.914 0.180 0.000 2.588 186 V HA 0.493 4.613 4.120 0.000 0.000 0.304 186 V C -0.479 175.639 176.094 0.040 0.000 1.042 186 V CA -0.804 61.578 62.300 0.137 0.000 0.877 186 V CB 2.137 34.131 31.823 0.285 0.000 0.996 186 V HN 0.686 nan 8.190 nan 0.000 0.425 187 K N 1.931 122.278 120.400 -0.089 0.000 2.395 187 K HA 0.931 5.251 4.320 0.000 0.000 0.247 187 K C -0.168 176.137 176.600 -0.491 0.000 0.973 187 K CA -0.667 55.452 56.287 -0.280 0.000 0.828 187 K CB 2.635 34.998 32.500 -0.229 0.000 1.272 187 K HN 0.971 nan 8.250 nan 0.000 0.439 188 G N -0.403 107.788 108.800 -1.015 0.000 2.506 188 G HA2 0.608 4.568 3.960 0.000 0.000 0.292 188 G HA3 0.608 4.568 3.960 0.000 0.000 0.292 188 G C -2.015 172.204 174.900 -1.134 0.000 1.425 188 G CA -0.654 43.772 45.100 -1.125 0.000 0.788 188 G HN 0.594 nan 8.290 nan 0.000 0.490 189 A N -0.351 122.163 122.820 -0.511 0.000 2.398 189 A HA 0.863 5.183 4.320 0.000 0.000 0.301 189 A C -0.392 177.182 177.584 -0.016 0.000 1.041 189 A CA -0.060 51.796 52.037 -0.302 0.000 0.711 189 A CB 1.997 20.854 19.000 -0.239 0.000 1.240 189 A HN 1.574 nan 8.150 nan 0.000 0.420 190 T N 1.019 115.603 114.554 0.049 0.000 2.807 190 T HA 0.552 4.902 4.350 0.000 0.000 0.279 190 T C 0.422 175.152 174.700 0.050 0.000 0.993 190 T CA -0.497 61.706 62.100 0.171 0.000 0.970 190 T CB 0.633 69.683 68.868 0.303 0.000 0.950 190 T HN 0.642 nan 8.240 nan 0.000 0.441 191 R N 2.617 123.216 120.500 0.164 0.000 2.476 191 R HA 0.137 4.477 4.340 0.000 0.000 0.276 191 R C -0.308 176.253 176.300 0.435 0.000 0.941 191 R CA -0.492 55.734 56.100 0.210 0.000 1.088 191 R CB 0.276 30.655 30.300 0.133 0.000 1.216 191 R HN 0.679 nan 8.270 nan 0.000 0.533 192 Y N 3.397 123.876 120.300 0.299 0.000 2.904 192 Y HA -0.171 4.379 4.550 0.000 0.000 0.336 192 Y C 0.086 176.165 175.900 0.299 0.000 1.263 192 Y CA 0.268 58.533 58.100 0.275 0.000 1.547 192 Y CB 0.192 38.814 38.460 0.270 0.000 1.272 192 Y HN 0.282 nan 8.280 nan 0.000 0.596 193 N N 1.762 120.151 118.700 -0.518 0.000 3.046 193 N HA 0.291 5.031 4.740 0.000 0.000 0.243 193 N C -1.721 173.430 175.510 -0.598 0.000 1.452 193 N CA -0.996 51.790 53.050 -0.440 0.000 0.882 193 N CB 0.806 39.095 38.487 -0.329 0.000 1.425 193 N HN 0.503 nan 8.380 nan 0.000 0.517 194 N N -0.593 117.870 118.700 -0.394 0.000 2.401 194 N HA 0.345 5.085 4.740 0.000 0.000 0.264 194 N C -0.243 175.096 175.510 -0.285 0.000 1.238 194 N CA 0.441 53.287 53.050 -0.339 0.000 0.889 194 N CB 0.695 39.010 38.487 -0.286 0.000 1.196 194 N HN 0.910 nan 8.380 nan 0.000 0.511 195 G N -0.381 108.249 108.800 -0.283 0.000 2.566 195 G HA2 0.024 3.984 3.960 0.000 0.000 0.599 195 G HA3 0.024 3.984 3.960 0.000 0.000 0.599 195 G C 0.396 175.116 174.900 -0.300 0.000 1.292 195 G CA -0.182 44.772 45.100 -0.243 0.000 0.922 195 G HN 0.433 nan 8.290 nan 0.000 0.514 196 G N -2.486 106.166 108.800 -0.247 0.000 2.198 196 G HA2 0.249 4.209 3.960 0.000 0.000 0.260 196 G HA3 0.249 4.209 3.960 0.000 0.000 0.260 196 G C 0.933 175.594 174.900 -0.399 0.000 1.025 196 G CA 1.668 46.594 45.100 -0.290 0.000 0.769 196 G HN 2.461 nan 8.290 nan 0.000 0.507 197 V N -3.284 116.425 119.914 -0.342 0.000 2.769 197 V HA 0.932 5.052 4.120 0.000 0.000 0.312 197 V C -1.653 174.391 176.094 -0.083 0.000 1.061 197 V CA -2.522 59.581 62.300 -0.330 0.000 0.931 197 V CB 1.866 33.314 31.823 -0.626 0.000 1.010 197 V HN 0.066 nan 8.190 nan 0.000 0.433 198 P HA 0.357 nan 4.420 nan 0.000 0.274 198 P C 0.030 177.441 177.300 0.185 0.000 1.260 198 P CA -0.237 62.939 63.100 0.126 0.000 0.793 198 P CB 0.538 32.343 31.700 0.174 0.000 1.048 199 D N -0.205 120.290 120.400 0.158 0.000 2.219 199 D HA -0.113 4.527 4.640 0.000 0.000 0.205 199 D C 1.002 177.414 176.300 0.188 0.000 0.970 199 D CA 1.140 55.228 54.000 0.147 0.000 0.851 199 D CB -0.479 40.386 40.800 0.108 0.000 0.943 199 D HN 0.450 nan 8.370 nan 0.000 0.488 200 N N 0.314 119.157 118.700 0.239 0.000 2.314 200 N HA -0.078 4.662 4.740 0.000 0.000 0.200 200 N C 0.121 175.779 175.510 0.246 0.000 1.135 200 N CA -0.462 52.726 53.050 0.230 0.000 0.835 200 N CB -0.884 37.749 38.487 0.243 0.000 0.989 200 N HN 0.023 nan 8.380 nan 0.000 0.478 201 F N 2.144 122.183 119.950 0.148 0.000 2.563 201 F HA 0.387 4.914 4.527 0.000 0.000 0.363 201 F C 0.098 175.874 175.800 -0.041 0.000 1.123 201 F CA -0.439 57.608 58.000 0.079 0.000 1.307 201 F CB 0.342 39.405 39.000 0.105 0.000 1.115 201 F HN 0.274 nan 8.300 nan 0.000 0.592 202 A N 4.580 126.618 122.820 -1.304 0.000 2.594 202 A HA 0.415 4.735 4.320 0.000 0.000 0.296 202 A C -1.732 175.068 177.584 -1.307 0.000 1.056 202 A CA -0.950 50.289 52.037 -1.329 0.000 0.693 202 A CB 0.880 19.284 19.000 -0.993 0.000 1.278 202 A HN 0.810 nan 8.150 nan 0.000 0.408 203 N N 0.407 118.521 118.700 -0.976 0.000 2.425 203 N HA 0.611 5.351 4.740 0.000 0.000 0.268 203 N C -1.616 173.514 175.510 -0.633 0.000 0.991 203 N CA -0.065 52.523 53.050 -0.770 0.000 0.931 203 N CB 0.356 38.582 38.487 -0.435 0.000 1.130 203 N HN 0.447 nan 8.380 nan 0.000 0.493 204 Y N 3.933 124.069 120.300 -0.274 0.000 2.341 204 Y HA 0.374 4.924 4.550 0.000 0.000 0.340 204 Y C -0.290 175.525 175.900 -0.143 0.000 0.997 204 Y CA -0.806 57.145 58.100 -0.247 0.000 1.149 204 Y CB 0.366 38.689 38.460 -0.228 0.000 1.171 204 Y HN 0.368 nan 8.280 nan 0.000 0.494 205 F N 1.845 121.731 119.950 -0.108 0.000 2.611 205 F HA 0.925 5.452 4.527 0.000 0.000 0.324 205 F C -0.758 174.970 175.800 -0.121 0.000 1.061 205 F CA -1.878 56.035 58.000 -0.145 0.000 0.954 205 F CB 1.873 40.582 39.000 -0.485 0.000 1.301 205 F HN 0.395 nan 8.300 nan 0.000 0.482 206 M N 3.234 122.960 119.600 0.210 0.000 2.520 206 M HA 0.751 5.231 4.480 0.000 0.000 0.280 206 M C -1.833 174.592 176.300 0.208 0.000 1.232 206 M CA -0.807 54.551 55.300 0.096 0.000 0.892 206 M CB 3.139 35.695 32.600 -0.073 0.000 1.728 206 M HN 1.010 nan 8.290 nan 0.000 0.475 207 M N 0.318 119.990 119.600 0.120 0.000 2.520 207 M HA 0.703 5.183 4.480 0.000 0.000 0.280 207 M C -2.090 174.196 176.300 -0.024 0.000 1.232 207 M CA -0.431 54.927 55.300 0.097 0.000 0.892 207 M CB 2.726 35.354 32.600 0.047 0.000 1.728 207 M HN 0.944 nan 8.290 nan 0.000 0.475 208 E N 1.831 121.996 120.200 -0.059 0.000 2.293 208 E HA 0.652 5.002 4.350 0.000 0.000 0.270 208 E C -2.187 174.320 176.600 -0.155 0.000 0.879 208 E CA -0.571 55.833 56.400 0.006 0.000 0.756 208 E CB 2.313 32.104 29.700 0.151 0.000 1.208 208 E HN 0.677 nan 8.360 nan 0.000 0.428 209 F N 1.386 121.445 119.950 0.182 0.000 2.458 209 F HA 0.193 4.720 4.527 0.000 0.000 0.330 209 F C 1.673 177.570 175.800 0.162 0.000 1.082 209 F CA -0.483 57.620 58.000 0.172 0.000 0.995 209 F CB 2.040 41.204 39.000 0.274 0.000 1.170 209 F HN 0.596 nan 8.300 nan 0.000 0.478 210 S N -0.392 115.496 115.700 0.313 0.000 2.436 210 S HA -0.005 4.465 4.470 0.000 0.000 0.228 210 S C 0.189 174.907 174.600 0.196 0.000 1.014 210 S CA 0.777 59.122 58.200 0.241 0.000 0.950 210 S CB -0.515 62.851 63.200 0.276 0.000 0.784 210 S HN 0.641 nan 8.310 nan 0.000 0.504 211 H N 1.380 120.564 119.070 0.191 0.000 2.670 211 H HA 0.622 5.178 4.556 0.000 0.000 0.361 211 H C -2.854 172.672 175.328 0.331 0.000 1.169 211 H CA -1.842 54.334 56.048 0.213 0.000 1.198 211 H CB 0.785 30.647 29.762 0.166 0.000 1.700 211 H HN 0.062 nan 8.280 nan 0.000 0.542 212 P HA -0.010 nan 4.420 nan 0.000 0.268 212 P C -0.613 176.826 177.300 0.231 0.000 1.205 212 P CA -0.101 63.138 63.100 0.232 0.000 0.771 212 P CB 0.479 32.267 31.700 0.147 0.000 0.858 213 V N 5.330 125.282 119.914 0.064 0.000 2.427 213 V HA 0.010 4.130 4.120 0.000 0.000 0.268 213 V C 1.645 177.690 176.094 -0.083 0.000 1.046 213 V CA 0.094 62.279 62.300 -0.192 0.000 0.970 213 V CB 0.411 32.120 31.823 -0.190 0.000 1.001 213 V HN 0.469 nan 8.190 nan 0.000 0.476 214 I N 2.730 123.210 120.570 -0.151 0.000 2.480 214 I HA 0.156 4.327 4.170 0.000 0.000 0.251 214 I C 0.973 177.083 176.117 -0.012 0.000 1.124 214 I CA 1.028 62.295 61.300 -0.054 0.000 1.444 214 I CB -0.301 37.647 38.000 -0.087 0.000 1.098 214 I HN 0.725 nan 8.210 nan 0.000 0.428 215 E N -0.308 119.877 120.200 -0.025 0.000 2.445 215 E HA 0.513 4.863 4.350 0.000 0.000 0.279 215 E C -1.504 175.095 176.600 -0.001 0.000 1.018 215 E CA -0.634 55.757 56.400 -0.016 0.000 0.816 215 E CB 1.755 31.487 29.700 0.053 0.000 1.356 215 E HN 0.078 nan 8.360 nan 0.000 0.462 216 Y N -1.146 119.054 120.300 -0.167 0.000 2.677 216 Y HA 0.881 5.431 4.550 0.000 0.000 0.334 216 Y C -0.323 175.064 175.900 -0.856 0.000 1.196 216 Y CA -0.719 57.009 58.100 -0.621 0.000 1.059 216 Y CB 1.129 39.348 38.460 -0.403 0.000 1.315 216 Y HN 0.694 nan 8.280 nan 0.000 0.455 217 G N -0.115 108.106 108.800 -0.964 0.000 2.576 217 G HA2 0.574 4.534 3.960 0.000 0.000 0.290 217 G HA3 0.574 4.534 3.960 0.000 0.000 0.290 217 G C -1.522 173.250 174.900 -0.213 0.000 1.442 217 G CA -0.446 44.339 45.100 -0.525 0.000 0.792 217 G HN 1.168 nan 8.290 nan 0.000 0.491 218 T N -2.359 112.162 114.554 -0.055 0.000 2.942 218 T HA 0.757 5.107 4.350 0.000 0.000 0.289 218 T C -1.361 173.395 174.700 0.093 0.000 1.044 218 T CA -0.870 61.240 62.100 0.017 0.000 1.023 218 T CB 2.309 71.172 68.868 -0.007 0.000 1.123 218 T HN 1.283 nan 8.240 nan 0.000 0.512 219 Y N 2.072 122.328 120.300 -0.072 0.000 2.441 219 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 219 Y C -0.437 175.385 175.900 -0.130 0.000 1.061 219 Y CA -1.194 56.846 58.100 -0.099 0.000 1.032 219 Y CB 1.795 40.192 38.460 -0.106 0.000 1.266 219 Y HN 0.801 nan 8.280 nan 0.000 0.441 220 N N 2.910 121.220 118.700 -0.650 0.000 2.275 220 N HA 0.278 5.018 4.740 0.000 0.000 0.236 220 N C 0.953 176.096 175.510 -0.612 0.000 1.154 220 N CA 0.282 53.045 53.050 -0.478 0.000 0.866 220 N CB 0.703 39.043 38.487 -0.245 0.000 1.093 220 N HN 1.176 nan 8.380 nan 0.000 0.515 221 G N 0.023 108.061 108.800 -1.269 0.000 2.199 221 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 221 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 221 G C 0.345 174.975 174.900 -0.451 0.000 0.982 221 G CA 0.623 45.329 45.100 -0.657 0.000 0.632 221 G HN 0.552 nan 8.290 nan 0.000 0.529 222 D N -1.391 118.658 120.400 -0.584 0.000 2.618 222 D HA 0.231 4.872 4.640 0.000 0.000 0.278 222 D C 0.711 176.969 176.300 -0.069 0.000 1.203 222 D CA 1.403 55.295 54.000 -0.179 0.000 1.073 222 D CB 0.568 41.301 40.800 -0.111 0.000 1.632 222 D HN 0.241 nan 8.370 nan 0.000 0.473 223 T N 0.949 115.418 114.554 -0.141 0.000 2.829 223 T HA 0.508 4.858 4.350 0.000 0.000 0.280 223 T C -1.100 173.647 174.700 0.078 0.000 0.999 223 T CA -0.538 61.563 62.100 0.002 0.000 0.983 223 T CB 1.921 70.774 68.868 -0.026 0.000 0.968 223 T HN 0.075 nan 8.240 nan 0.000 0.446 224 L N 4.499 125.803 121.223 0.136 0.000 2.264 224 L HA 0.579 4.919 4.340 0.000 0.000 0.289 224 L C -1.302 175.488 176.870 -0.133 0.000 1.044 224 L CA -0.292 54.587 54.840 0.065 0.000 0.807 224 L CB 0.080 42.120 42.059 -0.031 0.000 1.192 224 L HN 0.568 nan 8.230 nan 0.000 0.425 225 L N 5.828 126.978 121.223 -0.121 0.000 2.305 225 L HA 0.453 4.793 4.340 0.000 0.000 0.284 225 L C -0.272 176.513 176.870 -0.141 0.000 1.013 225 L CA -0.710 54.061 54.840 -0.115 0.000 0.819 225 L CB 0.983 43.023 42.059 -0.032 0.000 1.227 225 L HN 0.544 nan 8.230 nan 0.000 0.417 226 H N 2.360 121.480 119.070 0.084 0.000 2.582 226 H HA 0.085 4.641 4.556 0.000 0.000 0.345 226 H C 0.184 175.524 175.328 0.020 0.000 1.104 226 H CA -0.140 55.954 56.048 0.077 0.000 1.390 226 H CB 0.827 30.643 29.762 0.091 0.000 1.461 226 H HN 0.643 nan 8.280 nan 0.000 0.551 227 H N 0.371 119.330 119.070 -0.186 0.000 2.839 227 H HA -0.175 4.381 4.556 0.000 0.000 0.298 227 H C -0.665 174.608 175.328 -0.092 0.000 1.224 227 H CA 0.752 56.529 56.048 -0.451 0.000 1.144 227 H CB -0.878 28.708 29.762 -0.294 0.000 1.372 227 H HN 0.625 nan 8.280 nan 0.000 0.408 228 Q N -1.331 118.464 119.800 -0.008 0.000 2.433 228 Q HA 0.461 4.801 4.340 0.000 0.000 0.279 228 Q C 1.061 177.127 176.000 0.109 0.000 1.105 228 Q CA -0.072 55.770 55.803 0.065 0.000 0.815 228 Q CB 1.985 30.737 28.738 0.024 0.000 1.403 228 Q HN 0.420 nan 8.270 nan 0.000 0.435 229 T N -3.594 110.971 114.554 0.018 0.000 2.959 229 T HA 0.219 4.570 4.350 0.000 0.000 0.254 229 T C -0.241 174.419 174.700 -0.066 0.000 1.003 229 T CA 0.032 62.088 62.100 -0.073 0.000 0.950 229 T CB 0.259 69.033 68.868 -0.156 0.000 1.090 229 T HN 0.412 nan 8.240 nan 0.000 0.503 230 D N 0.474 120.849 120.400 -0.042 0.000 2.649 230 D HA 0.679 5.319 4.640 0.000 0.000 0.249 230 D C -1.609 174.672 176.300 -0.031 0.000 1.112 230 D CA -0.418 53.556 54.000 -0.042 0.000 0.850 230 D CB 2.876 43.650 40.800 -0.044 0.000 1.399 230 D HN 0.153 nan 8.370 nan 0.000 0.503 231 V N 0.957 120.853 119.914 -0.031 0.000 3.012 231 V HA 0.903 5.023 4.120 0.000 0.000 0.307 231 V C -1.702 174.377 176.094 -0.024 0.000 1.166 231 V CA -0.450 61.832 62.300 -0.030 0.000 0.974 231 V CB 1.870 33.673 31.823 -0.033 0.000 1.040 231 V HN 0.725 nan 8.190 nan 0.000 0.428 232 A N 4.179 126.984 122.820 -0.023 0.000 2.465 232 A HA 1.062 5.382 4.320 0.000 0.000 0.292 232 A C -0.553 177.026 177.584 -0.008 0.000 1.041 232 A CA 0.238 52.270 52.037 -0.009 0.000 0.718 232 A CB 1.521 20.517 19.000 -0.007 0.000 1.266 232 A HN 2.484 nan 8.150 nan 0.000 0.403 233 A N 1.391 124.216 122.820 0.009 0.000 2.467 233 A HA 0.646 4.966 4.320 0.000 0.000 0.301 233 A C 0.373 177.992 177.584 0.060 0.000 1.126 233 A CA 0.423 52.468 52.037 0.014 0.000 0.632 233 A CB -0.180 18.803 19.000 -0.028 0.000 1.331 233 A HN 1.066 nan 8.150 nan 0.000 0.482 234 D N -1.300 119.144 120.400 0.074 0.000 2.104 234 D HA -0.127 4.513 4.640 0.000 0.000 0.194 234 D C 0.307 176.732 176.300 0.209 0.000 0.994 234 D CA 2.359 56.431 54.000 0.121 0.000 0.830 234 D CB -0.027 40.834 40.800 0.102 0.000 0.959 234 D HN 0.481 nan 8.370 nan 0.000 0.452 235 Y N 0.244 120.559 120.300 0.024 0.000 2.361 235 Y HA 0.477 5.027 4.550 0.000 0.000 0.337 235 Y C -1.083 174.833 175.900 0.027 0.000 0.965 235 Y CA -1.149 56.976 58.100 0.041 0.000 1.091 235 Y CB 1.349 39.827 38.460 0.029 0.000 1.182 235 Y HN -0.028 nan 8.280 nan 0.000 0.450 236 T N 2.916 117.402 114.554 -0.113 0.000 2.900 236 T HA 0.837 5.187 4.350 0.000 0.000 0.295 236 T C -1.039 173.558 174.700 -0.171 0.000 1.044 236 T CA -0.557 61.422 62.100 -0.202 0.000 0.995 236 T CB 0.950 69.802 68.868 -0.026 0.000 1.072 236 T HN 0.697 nan 8.240 nan 0.000 0.473 237 C N 1.256 120.519 119.300 -0.060 0.000 3.080 237 C HA 1.048 5.508 4.460 0.000 0.000 0.307 237 C C -0.013 175.049 174.990 0.120 0.000 1.311 237 C CA -0.510 58.551 59.018 0.071 0.000 1.533 237 C CB 1.359 29.142 27.740 0.071 0.000 1.970 237 C HN 1.380 nan 8.230 nan 0.000 0.467 238 A N 0.484 123.388 122.820 0.140 0.000 2.556 238 A HA 0.932 5.252 4.320 0.000 0.000 0.294 238 A C -1.646 176.044 177.584 0.177 0.000 1.091 238 A CA -0.424 51.682 52.037 0.116 0.000 0.704 238 A CB 1.286 20.338 19.000 0.086 0.000 1.300 238 A HN 1.457 nan 8.150 nan 0.000 0.406 239 Y N -0.544 119.802 120.300 0.077 0.000 2.545 239 Y HA 0.856 5.406 4.550 0.000 0.000 0.348 239 Y C -1.731 174.215 175.900 0.075 0.000 1.002 239 Y CA -1.771 56.379 58.100 0.083 0.000 1.039 239 Y CB 1.124 39.602 38.460 0.029 0.000 1.271 239 Y HN 0.494 nan 8.280 nan 0.000 0.467 240 L N 3.631 125.005 121.223 0.253 0.000 2.381 240 L HA 0.580 4.920 4.340 0.000 0.000 0.268 240 L C -0.609 176.230 176.870 -0.052 0.000 0.997 240 L CA -0.830 53.958 54.840 -0.088 0.000 0.818 240 L CB 2.309 44.074 42.059 -0.491 0.000 1.310 240 L HN 0.751 nan 8.230 nan 0.000 0.416 241 K N 1.702 121.927 120.400 -0.291 0.000 2.270 241 K HA 0.735 5.055 4.320 0.000 0.000 0.255 241 K C -1.573 174.585 176.600 -0.737 0.000 0.936 241 K CA -0.420 55.637 56.287 -0.383 0.000 0.809 241 K CB 1.155 33.568 32.500 -0.145 0.000 1.131 241 K HN 0.345 nan 8.250 nan 0.000 0.427 242 F N 0.714 120.499 119.950 -0.275 0.000 2.618 242 F HA 0.283 4.810 4.527 0.000 0.000 0.332 242 F C -0.007 175.642 175.800 -0.251 0.000 1.061 242 F CA -0.736 57.135 58.000 -0.214 0.000 0.974 242 F CB 1.656 40.533 39.000 -0.205 0.000 1.310 242 F HN 0.483 nan 8.300 nan 0.000 0.491 243 D N 0.866 121.313 120.400 0.078 0.000 2.772 243 D HA 0.255 4.895 4.640 0.000 0.000 0.326 243 D C -1.288 175.043 176.300 0.052 0.000 1.207 243 D CA 0.024 54.024 54.000 0.000 0.000 0.777 243 D CB 0.538 41.340 40.800 0.004 0.000 1.169 243 D HN 0.133 nan 8.370 nan 0.000 0.506 244 V N 2.766 122.678 119.914 -0.004 0.000 2.529 244 V HA 0.221 4.341 4.120 0.000 0.000 0.292 244 V C -1.617 174.489 176.094 0.021 0.000 1.028 244 V CA -0.805 61.463 62.300 -0.053 0.000 1.074 244 V CB 0.627 32.347 31.823 -0.171 0.000 0.958 244 V HN 0.366 nan 8.190 nan 0.000 0.481 245 P HA 0.244 nan 4.420 nan 0.000 0.272 245 P C -0.324 177.011 177.300 0.059 0.000 1.223 245 P CA -0.257 62.885 63.100 0.071 0.000 0.784 245 P CB 0.470 32.228 31.700 0.096 0.000 0.923 246 A N 1.911 124.761 122.820 0.050 0.000 2.565 246 A HA 0.388 4.708 4.320 0.000 0.000 0.237 246 A C 1.544 179.156 177.584 0.048 0.000 1.053 246 A CA 0.887 52.952 52.037 0.047 0.000 0.755 246 A CB -1.489 17.534 19.000 0.039 0.000 0.980 246 A HN 0.897 nan 8.150 nan 0.000 0.506 247 G N 1.526 110.353 108.800 0.045 0.000 2.225 247 G HA2 -0.201 3.759 3.960 0.000 0.000 0.254 247 G HA3 -0.201 3.759 3.960 0.000 0.000 0.254 247 G C 0.087 175.014 174.900 0.045 0.000 0.988 247 G CA 0.622 45.746 45.100 0.040 0.000 0.625 247 G HN 0.874 nan 8.290 nan 0.000 0.527 248 E N -0.029 120.203 120.200 0.054 0.000 2.232 248 E HA 0.690 5.040 4.350 0.000 0.000 0.264 248 E C -0.201 176.407 176.600 0.014 0.000 0.973 248 E CA -0.725 55.712 56.400 0.063 0.000 0.849 248 E CB 1.259 31.039 29.700 0.133 0.000 1.198 248 E HN 0.226 nan 8.360 nan 0.000 0.407 249 K N 0.935 121.340 120.400 0.008 0.000 2.375 249 K HA 0.376 4.696 4.320 0.000 0.000 0.249 249 K C -1.211 175.339 176.600 -0.085 0.000 0.942 249 K CA -0.994 55.267 56.287 -0.044 0.000 0.806 249 K CB 1.799 34.284 32.500 -0.026 0.000 1.227 249 K HN 0.201 nan 8.250 nan 0.000 0.430 250 L N 1.523 122.663 121.223 -0.137 0.000 2.290 250 L HA 0.270 4.610 4.340 0.000 0.000 0.284 250 L C -0.716 176.140 176.870 -0.023 0.000 1.078 250 L CA 0.677 55.445 54.840 -0.120 0.000 0.815 250 L CB 1.221 43.192 42.059 -0.147 0.000 1.162 250 L HN 0.529 nan 8.230 nan 0.000 0.435 251 T N 6.591 121.182 114.554 0.061 0.000 2.824 251 T HA 0.608 4.958 4.350 0.000 0.000 0.280 251 T C -0.202 174.510 174.700 0.020 0.000 0.995 251 T CA -0.149 61.977 62.100 0.044 0.000 1.009 251 T CB 0.755 69.656 68.868 0.056 0.000 0.955 251 T HN 0.429 nan 8.240 nan 0.000 0.452 252 I N 3.337 123.891 120.570 -0.026 0.000 2.436 252 I HA 0.477 4.647 4.170 0.000 0.000 0.289 252 I C 0.077 176.157 176.117 -0.061 0.000 1.010 252 I CA -0.916 60.271 61.300 -0.189 0.000 1.098 252 I CB 1.719 39.523 38.000 -0.326 0.000 1.266 252 I HN 0.341 nan 8.210 nan 0.000 0.434 253 R N 3.341 123.808 120.500 -0.054 0.000 2.589 253 R HA 0.768 5.108 4.340 0.000 0.000 0.293 253 R C -0.596 175.821 176.300 0.196 0.000 0.963 253 R CA -0.729 55.392 56.100 0.035 0.000 0.905 253 R CB 2.445 32.742 30.300 -0.005 0.000 1.144 253 R HN 0.563 nan 8.270 nan 0.000 0.459 254 T N 0.251 114.920 114.554 0.190 0.000 2.894 254 T HA 0.756 5.106 4.350 0.000 0.000 0.309 254 T C -1.771 173.174 174.700 0.408 0.000 1.208 254 T CA -0.420 61.908 62.100 0.380 0.000 1.016 254 T CB 1.748 70.856 68.868 0.400 0.000 1.192 254 T HN 0.742 nan 8.240 nan 0.000 0.491 255 A N 1.908 125.036 122.820 0.514 0.000 2.609 255 A HA 0.953 5.273 4.320 0.000 0.000 0.291 255 A C -0.507 177.325 177.584 0.413 0.000 1.096 255 A CA -0.203 52.094 52.037 0.434 0.000 0.684 255 A CB 1.457 20.683 19.000 0.377 0.000 1.282 255 A HN 1.677 nan 8.150 nan 0.000 0.412 256 S N -0.450 115.447 115.700 0.328 0.000 2.671 256 S HA 0.909 5.379 4.470 0.000 0.000 0.277 256 S C -0.635 174.023 174.600 0.098 0.000 1.165 256 S CA 0.057 58.396 58.200 0.232 0.000 0.822 256 S CB 1.506 64.870 63.200 0.272 0.000 1.150 256 S HN 2.220 nan 8.310 nan 0.000 0.479 257 S N -0.616 115.076 115.700 -0.014 0.000 2.537 257 S HA 0.657 5.127 4.470 0.000 0.000 0.270 257 S C -1.212 173.290 174.600 -0.164 0.000 1.142 257 S CA -0.653 57.529 58.200 -0.032 0.000 0.870 257 S CB 0.840 64.082 63.200 0.070 0.000 1.112 257 S HN 0.615 nan 8.310 nan 0.000 0.466 258 F N 2.292 122.233 119.950 -0.014 0.000 2.765 258 F HA 0.439 4.966 4.527 0.000 0.000 0.302 258 F C 1.412 177.196 175.800 -0.026 0.000 1.111 258 F CA 0.088 58.017 58.000 -0.119 0.000 1.359 258 F CB 0.065 38.926 39.000 -0.232 0.000 1.097 258 F HN 0.465 nan 8.300 nan 0.000 0.577 259 I N -1.406 119.295 120.570 0.219 0.000 2.499 259 I HA 0.022 4.192 4.170 0.000 0.000 0.243 259 I C 0.722 176.845 176.117 0.010 0.000 1.085 259 I CA 0.610 62.019 61.300 0.181 0.000 1.422 259 I CB 0.051 38.139 38.000 0.147 0.000 1.165 259 I HN 0.054 nan 8.210 nan 0.000 0.440 260 S N -1.649 113.959 115.700 -0.153 0.000 2.615 260 S HA 0.316 4.786 4.470 0.000 0.000 0.268 260 S C -2.508 171.799 174.600 -0.488 0.000 1.146 260 S CA -1.004 56.825 58.200 -0.619 0.000 0.818 260 S CB 1.193 64.178 63.200 -0.358 0.000 1.111 260 S HN -0.273 nan 8.310 nan 0.000 0.465 261 P HA -0.089 nan 4.420 nan 0.000 0.216 261 P C 1.054 178.256 177.300 -0.164 0.000 1.153 261 P CA 1.644 64.574 63.100 -0.283 0.000 0.858 261 P CB -0.030 31.500 31.700 -0.283 0.000 0.789 262 E N -0.731 119.369 120.200 -0.166 0.000 2.085 262 E HA -0.229 4.121 4.350 0.000 0.000 0.194 262 E C 2.134 178.712 176.600 -0.038 0.000 0.994 262 E CA 1.244 57.590 56.400 -0.090 0.000 0.801 262 E CB -0.849 28.801 29.700 -0.083 0.000 0.743 262 E HN 0.187 nan 8.360 nan 0.000 0.453 263 Q N 0.155 119.933 119.800 -0.036 0.000 2.172 263 Q HA 0.032 4.372 4.340 0.000 0.000 0.200 263 Q C 1.875 177.911 176.000 0.060 0.000 0.964 263 Q CA 1.492 57.310 55.803 0.026 0.000 0.855 263 Q CB -0.356 28.404 28.738 0.036 0.000 0.918 263 Q HN 0.252 nan 8.270 nan 0.000 0.444 264 A N 0.276 123.120 122.820 0.040 0.000 1.902 264 A HA -0.062 4.258 4.320 0.000 0.000 0.217 264 A C 2.280 179.939 177.584 0.125 0.000 1.181 264 A CA 1.821 53.914 52.037 0.093 0.000 0.623 264 A CB -1.124 17.921 19.000 0.075 0.000 0.818 264 A HN 0.506 nan 8.150 nan 0.000 0.443 265 A N -0.131 122.722 122.820 0.055 0.000 1.933 265 A HA -0.058 4.262 4.320 0.000 0.000 0.218 265 A C 2.113 179.783 177.584 0.144 0.000 1.175 265 A CA 1.464 53.533 52.037 0.053 0.000 0.628 265 A CB -0.574 18.408 19.000 -0.030 0.000 0.814 265 A HN 0.504 nan 8.150 nan 0.000 0.444 266 I N 0.100 120.739 120.570 0.115 0.000 2.179 266 I HA -0.268 3.902 4.170 0.000 0.000 0.242 266 I C 2.128 178.349 176.117 0.173 0.000 1.088 266 I CA 1.237 62.616 61.300 0.132 0.000 1.357 266 I CB -0.505 37.559 38.000 0.108 0.000 1.051 266 I HN 0.301 nan 8.210 nan 0.000 0.409 267 N N 1.041 119.851 118.700 0.184 0.000 2.069 267 N HA -0.239 4.501 4.740 0.000 0.000 0.191 267 N C 1.786 177.424 175.510 0.213 0.000 1.031 267 N CA 1.480 54.647 53.050 0.195 0.000 0.852 267 N CB -0.772 37.831 38.487 0.193 0.000 1.018 267 N HN 0.332 nan 8.380 nan 0.000 0.423 268 F N 2.121 122.127 119.950 0.093 0.000 2.095 268 F HA -0.173 4.354 4.527 0.000 0.000 0.298 268 F C 1.953 177.793 175.800 0.065 0.000 1.104 268 F CA 1.351 59.401 58.000 0.083 0.000 1.232 268 F CB -0.154 38.891 39.000 0.074 0.000 0.987 268 F HN -0.006 nan 8.300 nan 0.000 0.475 269 N N 0.391 119.339 118.700 0.413 0.000 2.188 269 N HA -0.174 4.566 4.740 0.000 0.000 0.184 269 N C 2.007 177.575 175.510 0.097 0.000 1.018 269 N CA 1.161 54.367 53.050 0.261 0.000 0.858 269 N CB -0.498 38.126 38.487 0.227 0.000 0.989 269 N HN 0.399 nan 8.380 nan 0.000 0.426 270 R N 1.093 121.649 120.500 0.094 0.000 2.075 270 R HA 0.010 4.350 4.340 0.000 0.000 0.226 270 R C 1.376 177.687 176.300 0.019 0.000 1.114 270 R CA 1.119 57.255 56.100 0.061 0.000 0.972 270 R CB 0.235 30.588 30.300 0.089 0.000 0.869 270 R HN 0.273 nan 8.270 nan 0.000 0.437 271 E N -0.755 119.446 120.200 0.001 0.000 2.201 271 E HA -0.050 4.300 4.350 0.000 0.000 0.193 271 E C 1.522 178.057 176.600 -0.109 0.000 0.957 271 E CA 1.013 57.401 56.400 -0.022 0.000 0.858 271 E CB 0.851 30.571 29.700 0.032 0.000 0.816 271 E HN 0.303 nan 8.360 nan 0.000 0.475 272 V N -2.714 117.044 119.914 -0.258 0.000 3.497 272 V HA 0.454 4.574 4.120 0.000 0.000 0.272 272 V C 0.800 176.606 176.094 -0.480 0.000 1.474 272 V CA -0.213 61.866 62.300 -0.368 0.000 1.025 272 V CB 0.190 31.761 31.823 -0.421 0.000 0.820 272 V HN 0.047 nan 8.190 nan 0.000 0.437 273 A N 1.628 124.118 122.820 -0.549 0.000 2.567 273 A HA 0.294 4.614 4.320 0.000 0.000 0.240 273 A C 0.993 178.515 177.584 -0.103 0.000 1.053 273 A CA 1.096 52.956 52.037 -0.294 0.000 0.755 273 A CB -0.632 18.381 19.000 0.022 0.000 0.978 273 A HN 0.750 nan 8.150 nan 0.000 0.507 274 D N -1.317 119.066 120.400 -0.028 0.000 3.046 274 D HA -0.195 4.445 4.640 0.000 0.000 0.210 274 D C 0.362 176.646 176.300 -0.026 0.000 1.124 274 D CA 1.729 55.728 54.000 -0.001 0.000 0.986 274 D CB -1.752 39.056 40.800 0.013 0.000 1.118 274 D HN 1.162 nan 8.370 nan 0.000 0.416 275 A N 0.720 123.502 122.820 -0.064 0.000 2.304 275 A HA 0.523 4.843 4.320 0.000 0.000 0.301 275 A C 0.346 177.902 177.584 -0.046 0.000 1.132 275 A CA -0.253 51.748 52.037 -0.059 0.000 0.819 275 A CB 1.061 20.010 19.000 -0.085 0.000 1.094 275 A HN 0.128 nan 8.150 nan 0.000 0.492 276 D N 0.334 120.714 120.400 -0.035 0.000 2.478 276 D HA 0.259 4.899 4.640 0.000 0.000 0.263 276 D C 0.840 177.111 176.300 -0.049 0.000 1.153 276 D CA -0.411 53.570 54.000 -0.031 0.000 1.038 276 D CB 0.655 41.445 40.800 -0.016 0.000 1.120 276 D HN 0.189 nan 8.370 nan 0.000 0.564 277 V N -0.033 119.848 119.914 -0.056 0.000 2.490 277 V HA -0.266 3.854 4.120 0.000 0.000 0.250 277 V C 1.992 178.056 176.094 -0.050 0.000 1.061 277 V CA 2.020 64.273 62.300 -0.077 0.000 1.064 277 V CB -0.617 31.145 31.823 -0.100 0.000 0.670 277 V HN 0.446 nan 8.190 nan 0.000 0.461 278 Q N -0.381 119.398 119.800 -0.036 0.000 2.061 278 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 278 Q C 1.981 177.968 176.000 -0.023 0.000 0.984 278 Q CA 2.233 58.022 55.803 -0.024 0.000 0.846 278 Q CB -0.704 28.021 28.738 -0.022 0.000 0.902 278 Q HN 0.602 nan 8.270 nan 0.000 0.421 279 L N -0.113 121.093 121.223 -0.028 0.000 2.046 279 L HA -0.146 4.194 4.340 0.000 0.000 0.208 279 L C 1.695 178.550 176.870 -0.024 0.000 1.077 279 L CA 1.610 56.433 54.840 -0.027 0.000 0.747 279 L CB -0.445 41.597 42.059 -0.030 0.000 0.896 279 L HN 0.214 nan 8.230 nan 0.000 0.432 280 I N -1.090 119.461 120.570 -0.031 0.000 2.315 280 I HA -0.200 3.970 4.170 0.000 0.000 0.248 280 I C 2.713 178.839 176.117 0.016 0.000 1.117 280 I CA 1.507 62.794 61.300 -0.023 0.000 1.404 280 I CB -1.727 36.238 38.000 -0.058 0.000 1.071 280 I HN 0.366 nan 8.210 nan 0.000 0.419 281 S N 1.195 116.910 115.700 0.024 0.000 2.353 281 S HA -0.158 4.312 4.470 0.000 0.000 0.222 281 S C 2.215 176.844 174.600 0.048 0.000 1.035 281 S CA 1.859 60.122 58.200 0.104 0.000 1.025 281 S CB -0.706 62.563 63.200 0.115 0.000 0.902 281 S HN 0.516 nan 8.310 nan 0.000 0.440 282 G N 0.857 109.647 108.800 -0.017 0.000 2.422 282 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 282 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 282 G C 1.567 176.441 174.900 -0.044 0.000 1.146 282 G CA 0.759 45.819 45.100 -0.068 0.000 0.769 282 G HN 0.547 nan 8.290 nan 0.000 0.547 283 K N 0.422 120.819 120.400 -0.005 0.000 2.057 283 K HA 0.110 4.430 4.320 0.000 0.000 0.206 283 K C 2.975 179.602 176.600 0.045 0.000 1.050 283 K CA 0.886 57.180 56.287 0.012 0.000 0.935 283 K CB -0.192 32.317 32.500 0.014 0.000 0.715 283 K HN 0.252 nan 8.250 nan 0.000 0.439 284 A N 1.732 124.607 122.820 0.093 0.000 1.902 284 A HA -0.189 4.131 4.320 0.000 0.000 0.217 284 A C 2.119 179.858 177.584 0.258 0.000 1.181 284 A CA 1.331 53.488 52.037 0.199 0.000 0.623 284 A CB -0.458 18.727 19.000 0.308 0.000 0.818 284 A HN 0.196 nan 8.150 nan 0.000 0.443 285 R N -0.245 120.298 120.500 0.071 0.000 2.073 285 R HA -0.190 4.150 4.340 0.000 0.000 0.234 285 R C 2.227 178.529 176.300 0.002 0.000 1.134 285 R CA 1.888 57.907 56.100 -0.135 0.000 0.952 285 R CB -0.309 29.642 30.300 -0.581 0.000 0.850 285 R HN 0.748 nan 8.270 nan 0.000 0.433 286 E N -0.177 120.014 120.200 -0.015 0.000 2.077 286 E HA -0.219 4.131 4.350 0.000 0.000 0.193 286 E C 1.977 178.608 176.600 0.052 0.000 0.989 286 E CA 1.091 57.494 56.400 0.004 0.000 0.800 286 E CB 0.138 29.827 29.700 -0.018 0.000 0.746 286 E HN 0.314 nan 8.360 nan 0.000 0.452 287 Q N -0.160 119.678 119.800 0.063 0.000 2.030 287 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 287 Q C 1.945 178.016 176.000 0.119 0.000 0.986 287 Q CA 1.738 57.582 55.803 0.070 0.000 0.843 287 Q CB -0.717 28.018 28.738 -0.005 0.000 0.904 287 Q HN 0.500 nan 8.270 nan 0.000 0.420 288 W N 1.599 123.006 121.300 0.178 0.000 2.338 288 W HA -0.155 4.505 4.660 0.000 0.000 0.304 288 W C 2.105 178.737 176.519 0.188 0.000 1.212 288 W CA 0.824 58.281 57.345 0.188 0.000 1.264 288 W CB -0.407 29.147 29.460 0.156 0.000 1.142 288 W HN 0.220 nan 8.180 nan 0.000 0.512 289 N N 0.225 119.122 118.700 0.328 0.000 2.166 289 N HA -0.170 4.570 4.740 0.000 0.000 0.186 289 N C 1.250 176.904 175.510 0.241 0.000 1.019 289 N CA 1.436 54.645 53.050 0.265 0.000 0.856 289 N CB -0.814 37.746 38.487 0.120 0.000 0.993 289 N HN 0.202 nan 8.380 nan 0.000 0.426 290 N N 0.273 119.047 118.700 0.123 0.000 2.084 290 N HA -0.121 4.620 4.740 0.000 0.000 0.190 290 N C 1.694 177.204 175.510 0.000 0.000 1.030 290 N CA 1.047 54.090 53.050 -0.012 0.000 0.849 290 N CB -0.580 37.800 38.487 -0.178 0.000 1.012 290 N HN 0.380 nan 8.380 nan 0.000 0.423 291 Y N 1.042 121.455 120.300 0.188 0.000 2.243 291 Y HA 0.124 4.674 4.550 0.000 0.000 0.293 291 Y C 2.299 178.423 175.900 0.372 0.000 1.124 291 Y CA 0.475 58.748 58.100 0.289 0.000 1.159 291 Y CB -0.501 38.019 38.460 0.099 0.000 1.008 291 Y HN -0.049 nan 8.280 nan 0.000 0.527 292 L N -0.952 120.561 121.223 0.483 0.000 2.131 292 L HA -0.165 4.175 4.340 0.000 0.000 0.210 292 L C 2.476 179.464 176.870 0.197 0.000 1.092 292 L CA 1.333 56.425 54.840 0.420 0.000 0.759 292 L CB -0.989 41.324 42.059 0.424 0.000 0.903 292 L HN 0.314 nan 8.230 nan 0.000 0.435 293 G N -0.534 108.365 108.800 0.164 0.000 2.679 293 G HA2 -0.155 3.805 3.960 0.000 0.000 0.212 293 G HA3 -0.155 3.805 3.960 0.000 0.000 0.212 293 G C 1.621 176.592 174.900 0.118 0.000 1.137 293 G CA -0.083 45.042 45.100 0.042 0.000 0.787 293 G HN 0.303 nan 8.290 nan 0.000 0.534 294 R N -0.763 119.842 120.500 0.176 0.000 2.241 294 R HA 0.049 4.389 4.340 0.000 0.000 0.224 294 R C 0.303 176.713 176.300 0.183 0.000 1.101 294 R CA 0.351 56.558 56.100 0.178 0.000 0.995 294 R CB -0.013 30.311 30.300 0.040 0.000 0.870 294 R HN 0.287 nan 8.270 nan 0.000 0.463 295 V N 1.474 121.468 119.914 0.134 0.000 2.483 295 V HA 0.215 4.335 4.120 0.000 0.000 0.297 295 V C -1.194 174.892 176.094 -0.014 0.000 1.027 295 V CA -0.738 61.612 62.300 0.083 0.000 0.855 295 V CB 1.861 33.760 31.823 0.126 0.000 0.995 295 V HN 0.072 nan 8.190 nan 0.000 0.424 296 E N 5.818 126.017 120.200 -0.003 0.000 2.055 296 E HA 0.623 4.973 4.350 0.000 0.000 0.274 296 E C -0.244 176.290 176.600 -0.110 0.000 0.949 296 E CA -0.441 55.985 56.400 0.043 0.000 0.775 296 E CB 1.838 31.690 29.700 0.253 0.000 1.097 296 E HN 0.886 nan 8.360 nan 0.000 0.404 297 A N 4.319 126.981 122.820 -0.262 0.000 2.289 297 A HA 0.379 4.699 4.320 0.000 0.000 0.298 297 A C -0.252 177.061 177.584 -0.452 0.000 1.208 297 A CA -0.421 51.155 52.037 -0.769 0.000 0.845 297 A CB 0.574 18.425 19.000 -1.915 0.000 1.125 297 A HN 0.620 nan 8.150 nan 0.000 0.517 298 E N 0.754 120.752 120.200 -0.336 0.000 2.317 298 E HA 0.581 4.931 4.350 0.000 0.000 0.270 298 E C -0.045 176.545 176.600 -0.016 0.000 0.885 298 E CA -0.542 55.788 56.400 -0.116 0.000 0.760 298 E CB 1.947 31.631 29.700 -0.027 0.000 1.227 298 E HN 1.493 nan 8.360 nan 0.000 0.434 299 G N 1.042 109.870 108.800 0.047 0.000 2.545 299 G HA2 0.055 4.015 3.960 0.000 0.000 0.279 299 G HA3 0.055 4.015 3.960 0.000 0.000 0.279 299 G C -0.051 174.967 174.900 0.195 0.000 1.131 299 G CA -0.158 44.998 45.100 0.095 0.000 1.100 299 G HN 0.797 nan 8.290 nan 0.000 0.525 300 G N -0.919 108.008 108.800 0.211 0.000 2.682 300 G HA2 0.980 4.940 3.960 0.000 0.000 0.290 300 G HA3 0.980 4.940 3.960 0.000 0.000 0.290 300 G C 0.021 175.002 174.900 0.135 0.000 1.425 300 G CA 0.656 45.896 45.100 0.233 0.000 0.807 300 G HN 1.491 nan 8.290 nan 0.000 0.482 301 T N -1.494 113.116 114.554 0.093 0.000 2.868 301 T HA 0.254 4.604 4.350 0.000 0.000 0.292 301 T C 0.617 175.374 174.700 0.095 0.000 1.028 301 T CA 0.051 62.196 62.100 0.076 0.000 1.059 301 T CB 1.305 70.201 68.868 0.048 0.000 0.991 301 T HN 0.247 nan 8.240 nan 0.000 0.531 302 D N 0.292 120.754 120.400 0.103 0.000 2.158 302 D HA -0.113 4.527 4.640 0.000 0.000 0.197 302 D C 1.880 178.256 176.300 0.126 0.000 0.995 302 D CA 1.370 55.455 54.000 0.142 0.000 0.846 302 D CB -0.213 40.693 40.800 0.176 0.000 0.941 302 D HN 0.832 nan 8.370 nan 0.000 0.456 303 E N 0.889 121.148 120.200 0.098 0.000 2.077 303 E HA -0.173 4.177 4.350 0.000 0.000 0.193 303 E C 1.963 178.623 176.600 0.099 0.000 0.989 303 E CA 1.276 57.727 56.400 0.085 0.000 0.800 303 E CB -0.100 29.633 29.700 0.055 0.000 0.746 303 E HN 0.343 nan 8.360 nan 0.000 0.452 304 Q N -0.307 119.558 119.800 0.109 0.000 2.079 304 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 304 Q C 2.424 178.605 176.000 0.302 0.000 0.974 304 Q CA 1.452 57.350 55.803 0.159 0.000 0.840 304 Q CB -0.155 28.597 28.738 0.023 0.000 0.898 304 Q HN 0.308 nan 8.270 nan 0.000 0.430 305 L N 0.295 121.643 121.223 0.209 0.000 2.012 305 L HA -0.216 4.124 4.340 0.000 0.000 0.210 305 L C 2.538 179.500 176.870 0.154 0.000 1.073 305 L CA 1.362 56.219 54.840 0.028 0.000 0.748 305 L CB -0.402 41.289 42.059 -0.613 0.000 0.891 305 L HN 0.150 nan 8.230 nan 0.000 0.431 306 R N -0.725 119.876 120.500 0.169 0.000 2.091 306 R HA -0.137 4.203 4.340 0.000 0.000 0.238 306 R C 2.304 178.704 176.300 0.167 0.000 1.136 306 R CA 1.904 58.155 56.100 0.252 0.000 0.959 306 R CB -0.694 29.726 30.300 0.199 0.000 0.856 306 R HN 0.371 nan 8.270 nan 0.000 0.437 307 T N 0.898 115.517 114.554 0.109 0.000 2.737 307 T HA -0.153 4.197 4.350 0.000 0.000 0.265 307 T C 1.403 176.079 174.700 -0.040 0.000 1.038 307 T CA 1.314 63.379 62.100 -0.058 0.000 1.144 307 T CB -0.340 68.440 68.868 -0.146 0.000 0.866 307 T HN 0.185 nan 8.240 nan 0.000 0.434 308 F N 0.857 120.855 119.950 0.080 0.000 2.102 308 F HA -0.143 4.384 4.527 0.000 0.000 0.298 308 F C 1.966 177.715 175.800 -0.084 0.000 1.105 308 F CA 1.257 59.325 58.000 0.113 0.000 1.239 308 F CB -0.401 38.664 39.000 0.108 0.000 0.991 308 F HN 0.138 nan 8.300 nan 0.000 0.474 309 Y N -0.009 120.429 120.300 0.229 0.000 2.373 309 Y HA -0.106 4.444 4.550 0.000 0.000 0.293 309 Y C 2.723 178.665 175.900 0.070 0.000 1.129 309 Y CA 1.275 59.452 58.100 0.129 0.000 1.226 309 Y CB -0.991 37.643 38.460 0.291 0.000 1.000 309 Y HN 0.018 nan 8.280 nan 0.000 0.549 310 S N -1.038 114.764 115.700 0.170 0.000 2.368 310 S HA -0.203 4.267 4.470 0.000 0.000 0.225 310 S C 2.229 176.920 174.600 0.151 0.000 1.030 310 S CA 1.391 59.670 58.200 0.131 0.000 0.999 310 S CB -0.823 62.405 63.200 0.048 0.000 0.844 310 S HN 0.526 nan 8.310 nan 0.000 0.459 311 C N 1.127 120.437 119.300 0.015 0.000 2.429 311 C HA -0.003 4.457 4.460 0.000 0.000 0.277 311 C C 2.525 177.515 174.990 -0.000 0.000 1.262 311 C CA 0.476 59.513 59.018 0.031 0.000 1.733 311 C CB -1.339 26.378 27.740 -0.039 0.000 2.010 311 C HN 0.511 nan 8.230 nan 0.000 0.483 312 L N 0.480 121.636 121.223 -0.113 0.000 2.046 312 L HA -0.126 4.214 4.340 0.000 0.000 0.208 312 L C 2.380 179.303 176.870 0.087 0.000 1.077 312 L CA 2.023 56.815 54.840 -0.080 0.000 0.747 312 L CB -1.336 40.623 42.059 -0.167 0.000 0.896 312 L HN 0.555 nan 8.230 nan 0.000 0.432 313 Y N 0.207 120.515 120.300 0.015 0.000 2.114 313 Y HA -0.327 4.224 4.550 0.000 0.000 0.282 313 Y C 2.690 178.566 175.900 -0.040 0.000 1.165 313 Y CA 2.154 60.225 58.100 -0.048 0.000 1.148 313 Y CB -0.425 37.854 38.460 -0.303 0.000 0.972 313 Y HN 0.128 nan 8.280 nan 0.000 0.504 314 R N 0.074 120.383 120.500 -0.317 0.000 2.091 314 R HA -0.119 4.221 4.340 0.000 0.000 0.238 314 R C 2.210 178.444 176.300 -0.111 0.000 1.136 314 R CA 2.217 58.129 56.100 -0.314 0.000 0.959 314 R CB -0.869 29.431 30.300 0.000 0.000 0.856 314 R HN 0.446 nan 8.270 nan 0.000 0.437 315 T N 0.448 114.993 114.554 -0.016 0.000 2.962 315 T HA -0.001 4.349 4.350 0.000 0.000 0.270 315 T C 1.231 175.992 174.700 0.102 0.000 1.088 315 T CA 0.806 62.946 62.100 0.065 0.000 1.127 315 T CB 0.024 68.925 68.868 0.055 0.000 0.883 315 T HN 0.164 nan 8.240 nan 0.000 0.493 316 L N 0.394 121.548 121.223 -0.115 0.000 2.591 316 L HA 0.266 4.606 4.340 0.000 0.000 0.228 316 L C 1.793 178.184 176.870 -0.798 0.000 1.133 316 L CA 0.155 54.666 54.840 -0.548 0.000 0.880 316 L CB -0.371 41.257 42.059 -0.718 0.000 1.033 316 L HN 0.268 nan 8.230 nan 0.000 0.450 317 L N -1.119 119.867 121.223 -0.395 0.000 2.102 317 L HA 0.060 4.400 4.340 0.000 0.000 0.202 317 L C 0.658 177.357 176.870 -0.284 0.000 1.076 317 L CA 1.007 55.574 54.840 -0.455 0.000 0.761 317 L CB -0.052 41.569 42.059 -0.730 0.000 0.921 317 L HN 0.059 nan 8.230 nan 0.000 0.444 318 F N -0.649 119.490 119.950 0.315 0.000 2.525 318 F HA 0.431 4.958 4.527 0.000 0.000 0.346 318 F C -1.776 174.361 175.800 0.562 0.000 1.072 318 F CA -2.697 55.553 58.000 0.416 0.000 1.033 318 F CB -0.414 38.768 39.000 0.304 0.000 1.324 318 F HN -0.230 nan 8.300 nan 0.000 0.491 319 P HA -0.108 nan 4.420 nan 0.000 0.269 319 P C -0.999 176.726 177.300 0.709 0.000 1.185 319 P CA 0.085 63.607 63.100 0.704 0.000 0.769 319 P CB 0.484 32.564 31.700 0.633 0.000 0.809 320 R N 1.278 122.092 120.500 0.524 0.000 2.459 320 R HA 0.358 4.698 4.340 0.000 0.000 0.281 320 R C -0.178 176.234 176.300 0.186 0.000 1.050 320 R CA -0.779 55.525 56.100 0.340 0.000 1.055 320 R CB 0.557 30.924 30.300 0.112 0.000 1.045 320 R HN 0.377 nan 8.270 nan 0.000 0.495 321 E N 1.422 121.564 120.200 -0.096 0.000 2.415 321 E HA -0.067 4.283 4.350 0.000 0.000 0.263 321 E C -0.747 175.718 176.600 -0.225 0.000 0.995 321 E CA 0.198 56.242 56.400 -0.593 0.000 0.915 321 E CB 0.371 29.654 29.700 -0.695 0.000 0.951 321 E HN 0.505 nan 8.360 nan 0.000 0.449 322 F N 3.392 123.149 119.950 -0.322 0.000 2.698 322 F HA 0.168 4.695 4.527 0.000 0.000 0.304 322 F C -0.641 175.184 175.800 0.042 0.000 1.108 322 F CA -0.535 57.404 58.000 -0.102 0.000 1.263 322 F CB 0.334 39.288 39.000 -0.076 0.000 1.013 322 F HN 0.419 nan 8.300 nan 0.000 0.532 323 Y N -1.034 119.252 120.300 -0.024 0.000 2.568 323 Y HA 0.818 5.368 4.550 0.000 0.000 0.327 323 Y C -0.509 175.314 175.900 -0.129 0.000 1.163 323 Y CA -1.397 56.698 58.100 -0.008 0.000 1.219 323 Y CB 0.700 39.166 38.460 0.011 0.000 1.308 323 Y HN 0.007 nan 8.280 nan 0.000 0.503 324 E N 0.462 120.645 120.200 -0.028 0.000 2.429 324 E HA 0.434 4.784 4.350 0.000 0.000 0.276 324 E C -2.056 174.404 176.600 -0.232 0.000 0.953 324 E CA -0.942 55.391 56.400 -0.113 0.000 0.787 324 E CB 2.405 32.131 29.700 0.044 0.000 1.307 324 E HN 0.488 nan 8.360 nan 0.000 0.458 325 F N 1.984 122.048 119.950 0.191 0.000 2.411 325 F HA 0.188 4.715 4.527 0.000 0.000 0.352 325 F C 0.572 176.443 175.800 0.118 0.000 1.123 325 F CA -0.889 57.211 58.000 0.166 0.000 1.044 325 F CB 0.896 39.995 39.000 0.164 0.000 1.135 325 F HN 0.379 nan 8.300 nan 0.000 0.461 326 D N 0.165 120.709 120.400 0.241 0.000 2.380 326 D HA 0.025 4.665 4.640 0.000 0.000 0.254 326 D C 1.333 177.718 176.300 0.142 0.000 1.288 326 D CA -0.112 53.978 54.000 0.151 0.000 1.008 326 D CB 0.093 40.952 40.800 0.098 0.000 1.099 326 D HN 0.408 nan 8.370 nan 0.000 0.537 327 S N -1.683 114.075 115.700 0.096 0.000 2.493 327 S HA -0.242 4.228 4.470 0.000 0.000 0.243 327 S C 1.524 176.170 174.600 0.078 0.000 0.991 327 S CA 1.044 59.292 58.200 0.079 0.000 0.957 327 S CB -0.342 62.891 63.200 0.054 0.000 0.756 327 S HN 0.469 nan 8.310 nan 0.000 0.521 328 Q N 0.526 120.379 119.800 0.087 0.000 2.356 328 Q HA 0.381 4.721 4.340 0.000 0.000 0.205 328 Q C 1.393 177.453 176.000 0.099 0.000 0.901 328 Q CA 0.666 56.516 55.803 0.078 0.000 0.938 328 Q CB 0.142 28.920 28.738 0.066 0.000 1.081 328 Q HN 0.725 nan 8.270 nan 0.000 0.517 329 G N 0.332 109.220 108.800 0.146 0.000 2.157 329 G HA2 -0.232 3.728 3.960 0.000 0.000 0.248 329 G HA3 -0.232 3.728 3.960 0.000 0.000 0.248 329 G C -0.152 174.925 174.900 0.295 0.000 0.979 329 G CA 0.068 45.272 45.100 0.173 0.000 0.650 329 G HN 0.270 nan 8.290 nan 0.000 0.529 330 N N 1.816 120.674 118.700 0.263 0.000 2.479 330 N HA 0.477 5.217 4.740 0.000 0.000 0.285 330 N C -2.491 173.169 175.510 0.249 0.000 1.075 330 N CA -1.400 51.798 53.050 0.246 0.000 0.967 330 N CB 1.757 40.312 38.487 0.114 0.000 1.137 330 N HN 0.150 nan 8.380 nan 0.000 0.472 331 P HA 0.071 nan 4.420 nan 0.000 0.271 331 P C -0.489 176.760 177.300 -0.086 0.000 1.220 331 P CA -0.167 62.849 63.100 -0.140 0.000 0.768 331 P CB 0.764 32.273 31.700 -0.319 0.000 0.848 332 V N 1.699 121.605 119.914 -0.012 0.000 3.130 332 V HA 0.847 4.968 4.120 0.000 0.000 0.310 332 V C -1.309 174.907 176.094 0.204 0.000 1.158 332 V CA -1.235 61.086 62.300 0.035 0.000 1.029 332 V CB 1.922 33.751 31.823 0.010 0.000 1.057 332 V HN 0.637 nan 8.190 nan 0.000 0.436 333 Y N -0.015 120.371 120.300 0.144 0.000 2.552 333 Y HA 0.726 5.276 4.550 0.000 0.000 0.337 333 Y C -1.206 174.869 175.900 0.291 0.000 1.094 333 Y CA -1.720 56.508 58.100 0.214 0.000 1.028 333 Y CB 1.277 39.896 38.460 0.265 0.000 1.321 333 Y HN 0.902 nan 8.280 nan 0.000 0.456 334 Y N 2.643 123.161 120.300 0.365 0.000 2.496 334 Y HA 0.393 4.943 4.550 0.000 0.000 0.334 334 Y C 0.440 176.696 175.900 0.594 0.000 1.080 334 Y CA 0.203 58.529 58.100 0.378 0.000 1.355 334 Y CB 0.846 39.518 38.460 0.354 0.000 1.193 334 Y HN 0.818 nan 8.280 nan 0.000 0.523 335 S N 8.504 124.202 115.700 -0.004 0.000 2.481 335 S HA 0.241 4.711 4.470 0.000 0.000 0.276 335 S C -1.635 172.745 174.600 -0.368 0.000 1.247 335 S CA -1.438 56.825 58.200 0.105 0.000 1.053 335 S CB 0.662 63.983 63.200 0.202 0.000 0.925 335 S HN 0.696 nan 8.310 nan 0.000 0.491 336 P HA 0.066 nan 4.420 nan 0.000 0.245 336 P C 0.057 177.042 177.300 -0.524 0.000 1.212 336 P CA 0.483 63.346 63.100 -0.396 0.000 0.774 336 P CB -0.057 31.224 31.700 -0.699 0.000 0.999 337 Y N 1.334 121.556 120.300 -0.130 0.000 2.479 337 Y HA 0.026 4.576 4.550 0.000 0.000 0.283 337 Y C 1.899 177.791 175.900 -0.013 0.000 1.109 337 Y CA 1.244 59.296 58.100 -0.080 0.000 1.239 337 Y CB -0.163 38.245 38.460 -0.087 0.000 1.108 337 Y HN 0.051 nan 8.280 nan 0.000 0.548 338 D N -3.001 117.466 120.400 0.110 0.000 2.502 338 D HA 0.209 4.849 4.640 0.000 0.000 0.232 338 D C 1.652 177.974 176.300 0.036 0.000 1.137 338 D CA 0.725 54.782 54.000 0.095 0.000 0.827 338 D CB 0.304 41.185 40.800 0.135 0.000 1.141 338 D HN 0.204 nan 8.370 nan 0.000 0.517 339 G N 0.187 108.926 108.800 -0.101 0.000 2.157 339 G HA2 -0.274 3.686 3.960 0.000 0.000 0.248 339 G HA3 -0.274 3.686 3.960 0.000 0.000 0.248 339 G C -0.152 174.707 174.900 -0.067 0.000 0.979 339 G CA 0.126 45.139 45.100 -0.145 0.000 0.650 339 G HN 0.522 nan 8.290 nan 0.000 0.529 340 N N -1.287 117.382 118.700 -0.052 0.000 2.485 340 N HA 0.636 5.376 4.740 0.000 0.000 0.280 340 N C -0.198 175.261 175.510 -0.085 0.000 1.205 340 N CA -0.680 52.335 53.050 -0.058 0.000 0.959 340 N CB 1.960 40.353 38.487 -0.157 0.000 1.206 340 N HN 0.050 nan 8.380 nan 0.000 0.545 341 V N 1.011 120.834 119.914 -0.151 0.000 2.439 341 V HA 0.306 4.426 4.120 0.000 0.000 0.282 341 V C -0.647 175.189 176.094 -0.431 0.000 1.039 341 V CA -0.230 61.982 62.300 -0.147 0.000 0.913 341 V CB 0.665 32.462 31.823 -0.043 0.000 0.983 341 V HN 0.652 nan 8.190 nan 0.000 0.460 342 H N 0.860 119.646 119.070 -0.473 0.000 2.834 342 H HA 0.522 5.078 4.556 0.000 0.000 0.369 342 H C -0.931 174.117 175.328 -0.468 0.000 1.174 342 H CA -0.868 54.868 56.048 -0.520 0.000 1.165 342 H CB 1.236 30.526 29.762 -0.787 0.000 1.820 342 H HN 0.557 nan 8.280 nan 0.000 0.558 343 D N 0.478 120.801 120.400 -0.129 0.000 2.302 343 D HA 0.454 5.094 4.640 0.000 0.000 0.248 343 D C 1.039 177.314 176.300 -0.042 0.000 1.094 343 D CA 1.076 55.023 54.000 -0.090 0.000 0.897 343 D CB 1.449 42.216 40.800 -0.055 0.000 1.200 343 D HN 0.833 nan 8.370 nan 0.000 0.429 344 G N 0.508 109.243 108.800 -0.108 0.000 2.337 344 G HA2 -0.105 3.855 3.960 0.000 0.000 0.197 344 G HA3 -0.105 3.855 3.960 0.000 0.000 0.197 344 G C -1.568 173.153 174.900 -0.299 0.000 1.238 344 G CA -0.885 44.043 45.100 -0.286 0.000 1.119 344 G HN 0.310 nan 8.290 nan 0.000 0.514 345 Y N -0.539 119.791 120.300 0.050 0.000 2.446 345 Y HA 0.887 5.437 4.550 0.000 0.000 0.338 345 Y C 0.571 176.305 175.900 -0.276 0.000 1.055 345 Y CA -0.725 57.243 58.100 -0.220 0.000 1.101 345 Y CB 2.135 40.454 38.460 -0.235 0.000 1.221 345 Y HN 0.844 nan 8.280 nan 0.000 0.460 346 M N 2.400 121.976 119.600 -0.040 0.000 2.465 346 M HA 0.563 5.043 4.480 0.000 0.000 0.284 346 M C -2.398 173.991 176.300 0.149 0.000 1.212 346 M CA -1.023 54.184 55.300 -0.156 0.000 0.910 346 M CB 1.663 33.793 32.600 -0.783 0.000 1.725 346 M HN 0.576 nan 8.290 nan 0.000 0.477 347 Y N 0.348 120.720 120.300 0.119 0.000 2.581 347 Y HA 0.833 5.383 4.550 0.000 0.000 0.345 347 Y C 0.038 175.981 175.900 0.072 0.000 1.036 347 Y CA -0.356 57.852 58.100 0.181 0.000 1.042 347 Y CB 2.763 41.352 38.460 0.215 0.000 1.289 347 Y HN 0.804 nan 8.280 nan 0.000 0.471 348 T N -0.743 113.942 114.554 0.220 0.000 2.653 348 T HA 0.306 4.656 4.350 0.000 0.000 0.306 348 T C -2.028 172.795 174.700 0.206 0.000 1.426 348 T CA -0.453 61.679 62.100 0.054 0.000 1.008 348 T CB 0.840 69.503 68.868 -0.341 0.000 1.692 348 T HN 0.675 nan 8.240 nan 0.000 0.483 349 D N 1.263 121.773 120.400 0.184 0.000 2.778 349 D HA -0.129 4.511 4.640 0.000 0.000 0.246 349 D C -0.444 176.024 176.300 0.280 0.000 1.107 349 D CA 1.098 55.313 54.000 0.358 0.000 0.732 349 D CB -1.423 39.684 40.800 0.512 0.000 1.055 349 D HN 0.672 nan 8.370 nan 0.000 0.429 350 N N -0.686 118.003 118.700 -0.019 0.000 2.431 350 N HA 0.464 5.204 4.740 0.000 0.000 0.275 350 N C -0.617 174.176 175.510 -1.194 0.000 1.091 350 N CA -0.548 52.286 53.050 -0.361 0.000 0.922 350 N CB 1.436 39.919 38.487 -0.007 0.000 1.666 350 N HN 0.100 nan 8.380 nan 0.000 0.484 351 G N 1.994 109.705 108.800 -1.816 0.000 2.384 351 G HA2 0.347 4.307 3.960 0.000 0.000 0.316 351 G HA3 0.347 4.307 3.960 0.000 0.000 0.316 351 G C 0.292 174.874 174.900 -0.531 0.000 1.160 351 G CA -0.316 43.620 45.100 -1.939 0.000 0.936 351 G HN 0.506 nan 8.290 nan 0.000 0.455 352 F N 1.136 120.984 119.950 -0.170 0.000 2.269 352 F HA 0.025 4.552 4.527 0.000 0.000 0.301 352 F C 2.032 178.008 175.800 0.294 0.000 1.082 352 F CA -0.132 57.925 58.000 0.095 0.000 1.360 352 F CB -0.454 38.600 39.000 0.090 0.000 1.041 352 F HN 0.747 nan 8.300 nan 0.000 0.512 353 W N 1.534 122.996 121.300 0.269 0.000 2.331 353 W HA -0.285 4.375 4.660 0.000 0.000 0.291 353 W C 2.091 178.791 176.519 0.302 0.000 1.214 353 W CA 2.298 59.862 57.345 0.364 0.000 1.228 353 W CB -0.366 29.267 29.460 0.288 0.000 1.135 353 W HN 0.124 nan 8.180 nan 0.000 0.537 354 D N -1.763 118.757 120.400 0.199 0.000 2.259 354 D HA -0.125 4.515 4.640 0.000 0.000 0.216 354 D C 2.292 178.532 176.300 -0.099 0.000 0.961 354 D CA 2.216 56.176 54.000 -0.066 0.000 0.878 354 D CB -0.238 40.603 40.800 0.069 0.000 1.009 354 D HN 0.094 nan 8.370 nan 0.000 0.490 355 T N -1.739 112.861 114.554 0.077 0.000 3.088 355 T HA -0.045 4.305 4.350 0.000 0.000 0.259 355 T C 1.876 176.676 174.700 0.167 0.000 1.122 355 T CA 0.435 62.594 62.100 0.098 0.000 1.095 355 T CB -0.802 68.190 68.868 0.206 0.000 0.930 355 T HN 0.304 nan 8.240 nan 0.000 0.508 356 F N 2.282 122.304 119.950 0.120 0.000 2.293 356 F HA 0.227 4.754 4.527 0.000 0.000 0.300 356 F C 2.175 177.929 175.800 -0.077 0.000 1.086 356 F CA 0.165 58.189 58.000 0.041 0.000 1.375 356 F CB -0.465 38.552 39.000 0.029 0.000 1.045 356 F HN -0.035 nan 8.300 nan 0.000 0.516 357 R N 0.630 120.540 120.500 -0.984 0.000 2.075 357 R HA 0.112 4.452 4.340 0.000 0.000 0.232 357 R C 1.952 177.938 176.300 -0.523 0.000 1.126 357 R CA 1.550 57.032 56.100 -1.029 0.000 0.963 357 R CB -0.419 29.308 30.300 -0.954 0.000 0.858 357 R HN 0.512 nan 8.270 nan 0.000 0.435 358 A N -1.244 121.399 122.820 -0.295 0.000 2.189 358 A HA 0.153 4.473 4.320 0.000 0.000 0.177 358 A C 1.766 179.357 177.584 0.012 0.000 1.745 358 A CA -0.330 51.611 52.037 -0.160 0.000 1.284 358 A CB 0.131 19.129 19.000 -0.004 0.000 1.508 358 A HN 0.007 nan 8.150 nan 0.000 0.440 359 V N 0.827 120.657 119.914 -0.139 0.000 2.237 359 V HA -0.251 3.869 4.120 0.000 0.000 0.245 359 V C 2.371 178.013 176.094 -0.754 0.000 1.046 359 V CA 2.371 64.429 62.300 -0.404 0.000 1.007 359 V CB -0.936 30.636 31.823 -0.420 0.000 0.638 359 V HN 0.625 nan 8.190 nan 0.000 0.445 360 H N -0.605 118.261 119.070 -0.341 0.000 2.423 360 H HA -0.043 4.513 4.556 0.000 0.000 0.297 360 H C -0.107 175.214 175.328 -0.011 0.000 1.075 360 H CA 1.707 57.623 56.048 -0.220 0.000 1.342 360 H CB -1.520 28.218 29.762 -0.039 0.000 1.395 360 H HN 0.427 nan 8.280 nan 0.000 0.530 361 P HA -0.115 nan 4.420 nan 0.000 0.218 361 P C 1.912 179.502 177.300 0.485 0.000 1.149 361 P CA 0.575 63.831 63.100 0.260 0.000 0.817 361 P CB -0.059 31.701 31.700 0.100 0.000 0.785 362 L N -1.492 119.994 121.223 0.438 0.000 2.042 362 L HA -0.167 4.173 4.340 0.000 0.000 0.210 362 L C 2.056 179.195 176.870 0.449 0.000 1.076 362 L CA 1.975 56.972 54.840 0.262 0.000 0.749 362 L CB -1.228 40.799 42.059 -0.053 0.000 0.893 362 L HN -0.158 nan 8.230 nan 0.000 0.432 363 F N 0.039 120.204 119.950 0.359 0.000 2.095 363 F HA -0.210 4.317 4.527 0.000 0.000 0.298 363 F C 2.834 178.810 175.800 0.293 0.000 1.104 363 F CA 1.566 59.795 58.000 0.383 0.000 1.232 363 F CB -2.147 37.014 39.000 0.267 0.000 0.987 363 F HN 0.308 nan 8.300 nan 0.000 0.475 364 T N -1.301 113.521 114.554 0.447 0.000 2.849 364 T HA -0.206 4.145 4.350 0.000 0.000 0.270 364 T C 1.931 176.862 174.700 0.386 0.000 1.066 364 T CA 1.483 63.773 62.100 0.318 0.000 1.130 364 T CB -0.702 68.292 68.868 0.210 0.000 0.864 364 T HN 0.215 nan 8.240 nan 0.000 0.481 365 L N -0.333 121.146 121.223 0.428 0.000 2.121 365 L HA 0.475 4.815 4.340 0.000 0.000 0.200 365 L C 2.138 179.086 176.870 0.130 0.000 1.077 365 L CA 1.265 56.315 54.840 0.350 0.000 0.766 365 L CB -0.319 41.924 42.059 0.307 0.000 0.931 365 L HN 0.236 nan 8.230 nan 0.000 0.452 366 L N -1.881 119.374 121.223 0.052 0.000 2.513 366 L HA 0.090 4.430 4.340 0.000 0.000 0.222 366 L C -0.002 176.561 176.870 -0.512 0.000 1.096 366 L CA 0.139 54.801 54.840 -0.295 0.000 0.857 366 L CB 0.235 41.983 42.059 -0.518 0.000 1.026 366 L HN 0.198 nan 8.230 nan 0.000 0.469 367 Y N -1.331 119.130 120.300 0.268 0.000 2.517 367 Y HA 0.271 4.821 4.550 0.000 0.000 0.330 367 Y C -1.763 174.188 175.900 0.084 0.000 0.917 367 Y CA -1.918 56.302 58.100 0.200 0.000 1.131 367 Y CB -0.082 38.520 38.460 0.237 0.000 1.175 367 Y HN -0.052 nan 8.280 nan 0.000 0.620 368 P HA -0.179 nan 4.420 nan 0.000 0.223 368 P C 1.205 178.526 177.300 0.036 0.000 1.151 368 P CA 1.379 64.553 63.100 0.124 0.000 0.787 368 P CB 0.449 32.220 31.700 0.118 0.000 0.788 369 E N 0.670 120.881 120.200 0.020 0.000 2.204 369 E HA -0.089 4.261 4.350 0.000 0.000 0.195 369 E C 1.731 178.238 176.600 -0.154 0.000 0.990 369 E CA 1.069 57.446 56.400 -0.040 0.000 0.821 369 E CB -1.396 28.306 29.700 0.003 0.000 0.750 369 E HN 0.107 nan 8.360 nan 0.000 0.477 370 V N 1.653 121.412 119.914 -0.258 0.000 2.323 370 V HA -0.200 3.920 4.120 0.000 0.000 0.244 370 V C 2.555 178.436 176.094 -0.356 0.000 1.041 370 V CA 1.815 63.812 62.300 -0.505 0.000 1.025 370 V CB -0.613 30.562 31.823 -1.080 0.000 0.656 370 V HN 0.244 nan 8.190 nan 0.000 0.451 371 S N -0.272 115.343 115.700 -0.142 0.000 2.383 371 S HA -0.244 4.226 4.470 0.000 0.000 0.229 371 S C 1.889 176.434 174.600 -0.092 0.000 1.030 371 S CA 1.631 59.804 58.200 -0.045 0.000 1.002 371 S CB -0.330 62.922 63.200 0.086 0.000 0.829 371 S HN 0.688 nan 8.310 nan 0.000 0.467 372 E N 0.906 121.055 120.200 -0.084 0.000 2.097 372 E HA -0.181 4.169 4.350 0.000 0.000 0.196 372 E C 2.368 178.913 176.600 -0.092 0.000 1.000 372 E CA 1.102 57.462 56.400 -0.067 0.000 0.804 372 E CB -0.126 29.540 29.700 -0.058 0.000 0.740 372 E HN 0.449 nan 8.360 nan 0.000 0.454 373 R N 0.145 120.534 120.500 -0.186 0.000 2.100 373 R HA -0.013 4.327 4.340 0.000 0.000 0.220 373 R C 2.474 178.708 176.300 -0.110 0.000 1.091 373 R CA 0.632 56.621 56.100 -0.185 0.000 0.986 373 R CB -0.159 29.940 30.300 -0.335 0.000 0.888 373 R HN 0.027 nan 8.270 nan 0.000 0.444 374 V N 1.438 121.132 119.914 -0.367 0.000 2.295 374 V HA -0.273 3.847 4.120 0.000 0.000 0.246 374 V C 2.685 178.687 176.094 -0.154 0.000 1.049 374 V CA 2.466 64.526 62.300 -0.400 0.000 1.024 374 V CB -0.836 30.724 31.823 -0.438 0.000 0.648 374 V HN 0.548 nan 8.190 nan 0.000 0.447 375 T N -1.893 112.580 114.554 -0.135 0.000 2.720 375 T HA -0.316 4.034 4.350 0.000 0.000 0.268 375 T C 1.808 176.491 174.700 -0.029 0.000 1.037 375 T CA 1.805 63.847 62.100 -0.098 0.000 1.144 375 T CB -0.463 68.370 68.868 -0.059 0.000 0.864 375 T HN 0.520 nan 8.240 nan 0.000 0.444 376 Q N 0.881 120.694 119.800 0.021 0.000 2.096 376 Q HA -0.088 4.252 4.340 0.000 0.000 0.204 376 Q C 2.809 178.855 176.000 0.077 0.000 0.982 376 Q CA 1.852 57.701 55.803 0.078 0.000 0.850 376 Q CB -0.305 28.527 28.738 0.157 0.000 0.901 376 Q HN 0.617 nan 8.270 nan 0.000 0.422 377 S N 0.668 116.424 115.700 0.093 0.000 2.402 377 S HA -0.090 4.380 4.470 0.000 0.000 0.229 377 S C 1.901 176.528 174.600 0.045 0.000 1.021 377 S CA 0.747 59.003 58.200 0.093 0.000 0.974 377 S CB -0.137 63.194 63.200 0.220 0.000 0.800 377 S HN 0.288 nan 8.310 nan 0.000 0.484 378 I N 1.417 122.008 120.570 0.035 0.000 2.226 378 I HA -0.165 4.005 4.170 0.000 0.000 0.245 378 I C 1.889 178.005 176.117 -0.001 0.000 1.100 378 I CA 0.938 62.252 61.300 0.023 0.000 1.374 378 I CB -0.295 37.684 38.000 -0.036 0.000 1.057 378 I HN 0.252 nan 8.210 nan 0.000 0.413 379 I N 0.795 121.363 120.570 -0.005 0.000 2.315 379 I HA -0.245 3.925 4.170 0.000 0.000 0.248 379 I C 2.173 178.330 176.117 0.068 0.000 1.117 379 I CA 1.423 62.742 61.300 0.032 0.000 1.404 379 I CB -1.654 36.356 38.000 0.016 0.000 1.071 379 I HN 0.312 nan 8.210 nan 0.000 0.419 380 N N 1.512 120.230 118.700 0.030 0.000 2.104 380 N HA -0.134 4.606 4.740 0.000 0.000 0.190 380 N C 1.951 177.414 175.510 -0.079 0.000 1.024 380 N CA 1.747 54.803 53.050 0.009 0.000 0.853 380 N CB -0.310 38.205 38.487 0.046 0.000 1.008 380 N HN 0.376 nan 8.380 nan 0.000 0.424 381 A N 0.183 122.898 122.820 -0.176 0.000 1.902 381 A HA -0.179 4.141 4.320 0.000 0.000 0.217 381 A C 2.169 179.570 177.584 -0.305 0.000 1.181 381 A CA 1.162 52.886 52.037 -0.523 0.000 0.623 381 A CB -0.998 17.458 19.000 -0.906 0.000 0.818 381 A HN 0.436 nan 8.150 nan 0.000 0.443 382 Y N 1.538 121.714 120.300 -0.206 0.000 2.165 382 Y HA -0.240 4.310 4.550 0.000 0.000 0.286 382 Y C 2.075 177.906 175.900 -0.115 0.000 1.155 382 Y CA 2.164 60.195 58.100 -0.115 0.000 1.164 382 Y CB -0.330 38.070 38.460 -0.100 0.000 0.978 382 Y HN 0.316 nan 8.280 nan 0.000 0.513 383 N N 0.574 119.153 118.700 -0.201 0.000 2.223 383 N HA -0.146 4.594 4.740 0.000 0.000 0.185 383 N C 1.527 176.915 175.510 -0.204 0.000 1.016 383 N CA 1.765 54.660 53.050 -0.257 0.000 0.863 383 N CB -0.233 38.206 38.487 -0.079 0.000 0.983 383 N HN 0.618 nan 8.380 nan 0.000 0.429 384 E N -0.627 119.486 120.200 -0.145 0.000 2.250 384 E HA 0.026 4.376 4.350 0.000 0.000 0.192 384 E C 1.490 178.090 176.600 0.000 0.000 0.986 384 E CA 0.797 57.165 56.400 -0.053 0.000 0.849 384 E CB 0.234 29.916 29.700 -0.030 0.000 0.797 384 E HN 0.354 nan 8.360 nan 0.000 0.482 385 S N -2.175 113.509 115.700 -0.026 0.000 2.593 385 S HA 0.309 4.779 4.470 0.000 0.000 0.235 385 S C 1.570 176.223 174.600 0.088 0.000 1.059 385 S CA 0.340 58.623 58.200 0.138 0.000 0.953 385 S CB 1.149 64.566 63.200 0.361 0.000 0.897 385 S HN 0.277 nan 8.310 nan 0.000 0.507 386 G N 0.379 109.080 108.800 -0.164 0.000 2.194 386 G HA2 -0.159 3.801 3.960 0.000 0.000 0.236 386 G HA3 -0.159 3.801 3.960 0.000 0.000 0.236 386 G C -0.151 174.532 174.900 -0.362 0.000 0.987 386 G CA 0.136 44.996 45.100 -0.400 0.000 0.635 386 G HN 0.514 nan 8.290 nan 0.000 0.520 387 F N 0.114 120.161 119.950 0.162 0.000 2.599 387 F HA 0.755 5.282 4.527 0.000 0.000 0.311 387 F C 0.629 176.621 175.800 0.319 0.000 1.076 387 F CA -1.056 57.132 58.000 0.314 0.000 0.937 387 F CB 1.522 40.593 39.000 0.117 0.000 1.282 387 F HN -0.044 nan 8.300 nan 0.000 0.460 388 M N 3.628 123.510 119.600 0.470 0.000 2.242 388 M HA 0.285 4.765 4.480 0.000 0.000 0.344 388 M C -2.379 174.147 176.300 0.378 0.000 1.140 388 M CA -1.402 54.072 55.300 0.291 0.000 1.160 388 M CB 0.711 33.395 32.600 0.139 0.000 1.491 388 M HN 0.158 nan 8.290 nan 0.000 0.459 389 P HA 0.174 nan 4.420 nan 0.000 0.277 389 P C -0.581 176.860 177.300 0.234 0.000 1.240 389 P CA -0.124 63.165 63.100 0.315 0.000 0.798 389 P CB 1.082 32.844 31.700 0.102 0.000 0.979 390 E N 0.604 120.900 120.200 0.161 0.000 2.307 390 E HA 0.079 4.429 4.350 0.000 0.000 0.192 390 E C -0.226 176.287 176.600 -0.145 0.000 0.967 390 E CA 0.691 57.146 56.400 0.092 0.000 1.042 390 E CB -0.202 29.614 29.700 0.194 0.000 1.126 390 E HN 0.463 nan 8.360 nan 0.000 0.484 391 W N 0.877 122.156 121.300 -0.034 0.000 2.391 391 W HA 0.546 5.206 4.660 0.000 0.000 0.311 391 W C -0.719 175.757 176.519 -0.073 0.000 1.087 391 W CA -0.298 57.010 57.345 -0.063 0.000 1.209 391 W CB 1.463 30.930 29.460 0.013 0.000 1.273 391 W HN 0.016 nan 8.180 nan 0.000 0.482 392 A N 3.398 126.385 122.820 0.279 0.000 2.359 392 A HA 0.718 5.038 4.320 0.000 0.000 0.303 392 A C -1.011 176.670 177.584 0.162 0.000 1.066 392 A CA -0.537 51.565 52.037 0.109 0.000 0.730 392 A CB 1.843 20.817 19.000 -0.042 0.000 1.211 392 A HN 0.317 nan 8.150 nan 0.000 0.439 393 S N 4.073 119.755 115.700 -0.030 0.000 2.481 393 S HA 0.488 4.958 4.470 0.000 0.000 0.262 393 S C -2.059 172.251 174.600 -0.482 0.000 1.061 393 S CA -0.506 57.644 58.200 -0.082 0.000 1.039 393 S CB 1.433 64.727 63.200 0.157 0.000 1.170 393 S HN 0.475 nan 8.310 nan 0.000 0.437 394 P HA -0.098 nan 4.420 nan 0.000 0.219 394 P C 0.953 177.757 177.300 -0.826 0.000 1.153 394 P CA 1.728 64.236 63.100 -0.987 0.000 0.865 394 P CB -0.173 30.707 31.700 -1.366 0.000 0.788 395 G N -1.567 106.775 108.800 -0.764 0.000 2.702 395 G HA2 0.219 4.179 3.960 0.000 0.000 0.254 395 G HA3 0.219 4.179 3.960 0.000 0.000 0.254 395 G C -0.595 174.053 174.900 -0.421 0.000 1.380 395 G CA -0.466 44.115 45.100 -0.864 0.000 1.042 395 G HN 0.134 nan 8.290 nan 0.000 0.557 396 H N 0.972 119.960 119.070 -0.136 0.000 3.004 396 H HA 0.171 4.727 4.556 0.000 0.000 0.316 396 H C 0.236 175.508 175.328 -0.094 0.000 1.014 396 H CA 0.601 56.641 56.048 -0.013 0.000 1.454 396 H CB 0.446 30.194 29.762 -0.024 0.000 1.472 396 H HN 0.112 nan 8.280 nan 0.000 0.571 397 R N 1.732 122.292 120.500 0.101 0.000 2.621 397 R HA 0.269 4.609 4.340 0.000 0.000 0.292 397 R C 0.288 176.611 176.300 0.037 0.000 0.969 397 R CA -0.943 55.166 56.100 0.014 0.000 0.887 397 R CB 2.035 32.319 30.300 -0.026 0.000 1.180 397 R HN 0.754 nan 8.270 nan 0.000 0.450 398 G N 1.084 109.876 108.800 -0.013 0.000 2.519 398 G HA2 0.311 4.271 3.960 0.000 0.000 0.306 398 G HA3 0.311 4.271 3.960 0.000 0.000 0.306 398 G C -0.468 174.445 174.900 0.021 0.000 0.965 398 G CA -0.054 45.044 45.100 -0.003 0.000 1.291 398 G HN 0.487 nan 8.290 nan 0.000 0.450 399 C N 5.431 124.740 119.300 0.016 0.000 2.931 399 C HA 0.664 5.124 4.460 0.000 0.000 0.370 399 C C 0.109 175.113 174.990 0.023 0.000 1.071 399 C CA -0.581 58.385 59.018 -0.087 0.000 1.266 399 C CB 0.352 27.859 27.740 -0.388 0.000 1.691 399 C HN 0.967 nan 8.230 nan 0.000 0.511 400 M N 3.256 122.758 119.600 -0.163 0.000 7.319 400 M HA -0.207 4.273 4.480 0.000 0.000 0.182 400 M C -0.254 175.925 176.300 -0.201 0.000 0.480 400 M CA 1.988 57.106 55.300 -0.303 0.000 1.311 400 M CB -2.001 30.397 32.600 -0.337 0.000 0.421 400 M HN 1.081 nan 8.290 nan 0.000 0.539 401 I N -2.852 117.581 120.570 -0.228 0.000 3.263 401 I HA 0.846 5.016 4.170 0.000 0.000 0.314 401 I C 0.265 176.522 176.117 0.233 0.000 1.269 401 I CA -0.105 61.182 61.300 -0.021 0.000 0.942 401 I CB 1.873 39.808 38.000 -0.107 0.000 1.305 401 I HN 1.763 nan 8.210 nan 0.000 0.474 402 G N 2.198 111.190 108.800 0.319 0.000 2.712 402 G HA2 -0.151 3.809 3.960 0.000 0.000 0.683 402 G HA3 -0.151 3.809 3.960 0.000 0.000 0.683 402 G C -1.050 174.053 174.900 0.338 0.000 1.320 402 G CA -0.220 45.141 45.100 0.434 0.000 0.847 402 G HN 0.919 nan 8.290 nan 0.000 0.553 403 N N 0.446 119.304 118.700 0.263 0.000 2.598 403 N HA 0.165 4.905 4.740 0.000 0.000 0.309 403 N C 1.033 176.576 175.510 0.056 0.000 1.645 403 N CA -0.184 52.934 53.050 0.114 0.000 0.936 403 N CB 0.242 38.727 38.487 -0.004 0.000 1.323 403 N HN 0.535 nan 8.380 nan 0.000 0.497 404 N N -0.390 118.382 118.700 0.119 0.000 2.550 404 N HA -0.112 4.628 4.740 0.000 0.000 0.186 404 N C 1.756 177.229 175.510 -0.062 0.000 1.110 404 N CA 0.544 53.574 53.050 -0.034 0.000 0.912 404 N CB 0.226 38.698 38.487 -0.024 0.000 0.968 404 N HN 0.228 nan 8.380 nan 0.000 0.448 405 S N -0.134 115.602 115.700 0.060 0.000 2.387 405 S HA -0.164 4.306 4.470 0.000 0.000 0.230 405 S C 1.961 176.385 174.600 -0.292 0.000 1.035 405 S CA 1.015 59.120 58.200 -0.159 0.000 1.014 405 S CB -0.788 62.485 63.200 0.122 0.000 0.836 405 S HN 0.073 nan 8.310 nan 0.000 0.466 406 V N 1.811 121.580 119.914 -0.240 0.000 2.343 406 V HA -0.155 3.965 4.120 0.000 0.000 0.247 406 V C 3.001 178.888 176.094 -0.344 0.000 1.051 406 V CA 1.950 64.050 62.300 -0.334 0.000 1.036 406 V CB -1.241 30.385 31.823 -0.329 0.000 0.654 406 V HN 0.706 nan 8.190 nan 0.000 0.451 407 S N -0.297 115.229 115.700 -0.290 0.000 2.370 407 S HA -0.197 4.273 4.470 0.000 0.000 0.226 407 S C 1.938 176.437 174.600 -0.168 0.000 1.033 407 S CA 1.705 59.788 58.200 -0.195 0.000 1.011 407 S CB -0.304 62.825 63.200 -0.119 0.000 0.852 407 S HN 0.367 nan 8.310 nan 0.000 0.457 408 L N 1.420 122.473 121.223 -0.284 0.000 2.012 408 L HA -0.046 4.294 4.340 0.000 0.000 0.210 408 L C 2.422 179.137 176.870 -0.259 0.000 1.073 408 L CA 1.600 56.234 54.840 -0.342 0.000 0.748 408 L CB -0.746 40.879 42.059 -0.723 0.000 0.891 408 L HN 0.366 nan 8.230 nan 0.000 0.431 409 L N -1.909 119.128 121.223 -0.309 0.000 2.027 409 L HA -0.200 4.140 4.340 0.000 0.000 0.206 409 L C 2.379 179.137 176.870 -0.187 0.000 1.074 409 L CA 0.869 55.546 54.840 -0.272 0.000 0.745 409 L CB -0.570 41.229 42.059 -0.433 0.000 0.898 409 L HN 0.080 nan 8.230 nan 0.000 0.433 410 V N -0.328 119.432 119.914 -0.257 0.000 2.379 410 V HA -0.274 3.846 4.120 0.000 0.000 0.245 410 V C 2.121 178.223 176.094 0.013 0.000 1.044 410 V CA 1.950 64.171 62.300 -0.132 0.000 1.036 410 V CB -0.476 31.205 31.823 -0.237 0.000 0.664 410 V HN 0.451 nan 8.190 nan 0.000 0.453 411 D N 0.578 120.968 120.400 -0.016 0.000 2.104 411 D HA -0.181 4.459 4.640 0.000 0.000 0.194 411 D C 2.122 178.429 176.300 0.011 0.000 0.994 411 D CA 1.691 55.701 54.000 0.016 0.000 0.830 411 D CB -0.146 40.672 40.800 0.030 0.000 0.959 411 D HN 0.362 nan 8.370 nan 0.000 0.452 412 A N 0.257 123.089 122.820 0.021 0.000 1.902 412 A HA -0.164 4.156 4.320 0.000 0.000 0.217 412 A C 2.276 179.901 177.584 0.068 0.000 1.181 412 A CA 1.297 53.351 52.037 0.028 0.000 0.623 412 A CB -1.357 17.659 19.000 0.028 0.000 0.818 412 A HN 0.614 nan 8.150 nan 0.000 0.443 413 W N 0.241 121.519 121.300 -0.037 0.000 2.354 413 W HA -0.179 4.481 4.660 0.000 0.000 0.315 413 W C 1.617 178.131 176.519 -0.008 0.000 1.206 413 W CA 2.059 59.416 57.345 0.020 0.000 1.290 413 W CB -0.302 29.251 29.460 0.154 0.000 1.152 413 W HN 0.265 nan 8.180 nan 0.000 0.489 414 M N 0.650 120.382 119.600 0.220 0.000 2.539 414 M HA -0.130 4.350 4.480 0.000 0.000 0.261 414 M C 1.254 177.533 176.300 -0.035 0.000 1.069 414 M CA 1.381 56.733 55.300 0.086 0.000 1.081 414 M CB -1.216 31.423 32.600 0.065 0.000 1.412 414 M HN -0.019 nan 8.290 nan 0.000 0.482 415 K N -0.643 119.695 120.400 -0.104 0.000 2.372 415 K HA 0.313 4.633 4.320 0.000 0.000 0.200 415 K C 0.992 177.515 176.600 -0.129 0.000 1.022 415 K CA 0.401 56.557 56.287 -0.218 0.000 1.125 415 K CB 0.395 32.590 32.500 -0.507 0.000 0.855 415 K HN 0.442 nan 8.250 nan 0.000 0.524 416 G N 1.681 110.383 108.800 -0.165 0.000 2.157 416 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 416 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 416 G C 0.066 174.836 174.900 -0.215 0.000 0.979 416 G CA -0.344 44.633 45.100 -0.205 0.000 0.650 416 G HN 0.247 nan 8.290 nan 0.000 0.529 417 I N 1.485 121.951 120.570 -0.175 0.000 2.281 417 I HA 0.314 4.484 4.170 0.000 0.000 0.293 417 I C 0.294 176.307 176.117 -0.174 0.000 1.085 417 I CA 0.160 61.388 61.300 -0.121 0.000 1.257 417 I CB 0.819 38.798 38.000 -0.034 0.000 1.430 417 I HN 0.156 nan 8.210 nan 0.000 0.489 418 Q N 4.695 124.342 119.800 -0.255 0.000 2.891 418 Q HA 0.205 4.545 4.340 0.000 0.000 0.242 418 Q C 0.351 176.301 176.000 -0.082 0.000 0.959 418 Q CA -0.276 55.306 55.803 -0.367 0.000 0.707 418 Q CB 1.344 29.390 28.738 -1.152 0.000 1.283 418 Q HN 0.747 nan 8.270 nan 0.000 0.480 419 T N -3.538 111.060 114.554 0.073 0.000 3.040 419 T HA 0.221 4.571 4.350 0.000 0.000 0.266 419 T C 0.692 175.479 174.700 0.145 0.000 1.005 419 T CA 0.013 62.164 62.100 0.086 0.000 0.906 419 T CB 0.197 69.103 68.868 0.063 0.000 1.082 419 T HN 0.295 nan 8.240 nan 0.000 0.531 420 V N -0.457 119.598 119.914 0.235 0.000 2.837 420 V HA 0.646 4.766 4.120 0.000 0.000 0.310 420 V C -0.354 175.890 176.094 0.250 0.000 1.059 420 V CA -1.259 61.160 62.300 0.199 0.000 1.004 420 V CB 1.210 33.112 31.823 0.133 0.000 1.045 420 V HN 0.171 nan 8.190 nan 0.000 0.465 421 D N 1.830 122.314 120.400 0.140 0.000 2.383 421 D HA 0.474 5.114 4.640 0.000 0.000 0.252 421 D C 0.984 177.326 176.300 0.069 0.000 1.166 421 D CA 0.624 54.695 54.000 0.118 0.000 0.879 421 D CB 1.722 42.561 40.800 0.065 0.000 1.164 421 D HN 0.860 nan 8.370 nan 0.000 0.462 422 A N 4.664 127.531 122.820 0.079 0.000 1.877 422 A HA -0.178 4.142 4.320 0.000 0.000 0.216 422 A C 1.917 179.458 177.584 -0.072 0.000 1.186 422 A CA 1.110 53.094 52.037 -0.089 0.000 0.620 422 A CB -0.443 18.485 19.000 -0.120 0.000 0.822 422 A HN 0.687 nan 8.150 nan 0.000 0.443 423 E N -0.227 119.944 120.200 -0.048 0.000 2.077 423 E HA -0.204 4.146 4.350 0.000 0.000 0.193 423 E C 1.999 178.562 176.600 -0.061 0.000 0.989 423 E CA 1.617 57.984 56.400 -0.054 0.000 0.800 423 E CB -0.257 29.421 29.700 -0.036 0.000 0.746 423 E HN 0.587 nan 8.360 nan 0.000 0.452 424 K N 1.242 121.614 120.400 -0.047 0.000 2.057 424 K HA -0.039 4.281 4.320 0.000 0.000 0.206 424 K C 1.928 178.428 176.600 -0.166 0.000 1.050 424 K CA 1.392 57.642 56.287 -0.061 0.000 0.935 424 K CB -0.410 32.085 32.500 -0.007 0.000 0.715 424 K HN 0.055 nan 8.250 nan 0.000 0.439 425 A N 0.678 123.393 122.820 -0.176 0.000 1.877 425 A HA -0.117 4.203 4.320 0.000 0.000 0.216 425 A C 2.112 179.457 177.584 -0.399 0.000 1.186 425 A CA 1.669 53.508 52.037 -0.331 0.000 0.620 425 A CB -0.816 17.947 19.000 -0.394 0.000 0.822 425 A HN 0.372 nan 8.150 nan 0.000 0.443 426 L N 0.312 121.415 121.223 -0.200 0.000 2.046 426 L HA -0.149 4.191 4.340 0.000 0.000 0.208 426 L C 2.298 179.026 176.870 -0.237 0.000 1.077 426 L CA 2.717 57.455 54.840 -0.170 0.000 0.747 426 L CB -0.726 41.325 42.059 -0.013 0.000 0.896 426 L HN 0.642 nan 8.230 nan 0.000 0.432 427 E N -0.402 119.676 120.200 -0.204 0.000 2.058 427 E HA -0.269 4.081 4.350 0.000 0.000 0.194 427 E C 2.045 178.459 176.600 -0.311 0.000 0.997 427 E CA 1.396 57.684 56.400 -0.187 0.000 0.801 427 E CB -0.217 29.416 29.700 -0.111 0.000 0.746 427 E HN 0.590 nan 8.360 nan 0.000 0.450 428 A N 0.999 123.466 122.820 -0.589 0.000 1.902 428 A HA -0.184 4.136 4.320 0.000 0.000 0.217 428 A C 2.262 179.537 177.584 -0.516 0.000 1.181 428 A CA 1.831 53.266 52.037 -1.004 0.000 0.623 428 A CB -0.561 17.576 19.000 -1.437 0.000 0.818 428 A HN 0.341 nan 8.150 nan 0.000 0.443 429 M N -0.690 118.637 119.600 -0.455 0.000 2.080 429 M HA -0.133 4.347 4.480 0.000 0.000 0.260 429 M C 2.116 178.234 176.300 -0.303 0.000 1.068 429 M CA 1.690 56.754 55.300 -0.393 0.000 1.109 429 M CB -0.574 31.729 32.600 -0.496 0.000 1.342 429 M HN 0.392 nan 8.290 nan 0.000 0.405 430 I N -1.014 119.395 120.570 -0.268 0.000 2.252 430 I HA -0.297 3.873 4.170 0.000 0.000 0.245 430 I C 2.554 178.609 176.117 -0.103 0.000 1.102 430 I CA 1.510 62.716 61.300 -0.156 0.000 1.385 430 I CB -0.631 37.310 38.000 -0.100 0.000 1.064 430 I HN 0.336 nan 8.210 nan 0.000 0.414 431 H N 0.868 119.821 119.070 -0.196 0.000 2.422 431 H HA -0.248 4.308 4.556 0.000 0.000 0.298 431 H C 2.155 177.375 175.328 -0.180 0.000 1.098 431 H CA 1.836 57.770 56.048 -0.189 0.000 1.315 431 H CB 0.004 29.672 29.762 -0.157 0.000 1.382 431 H HN 0.210 nan 8.280 nan 0.000 0.523 432 Q N -0.170 119.518 119.800 -0.186 0.000 2.291 432 Q HA -0.091 4.249 4.340 0.000 0.000 0.206 432 Q C 2.097 177.956 176.000 -0.235 0.000 0.976 432 Q CA 1.816 57.534 55.803 -0.141 0.000 0.875 432 Q CB -0.088 28.602 28.738 -0.080 0.000 0.927 432 Q HN 0.671 nan 8.270 nan 0.000 0.450 433 T N -3.458 110.942 114.554 -0.258 0.000 3.044 433 T HA 0.109 4.459 4.350 0.000 0.000 0.250 433 T C 1.078 175.538 174.700 -0.400 0.000 1.081 433 T CA -0.066 61.869 62.100 -0.276 0.000 1.040 433 T CB 0.257 69.075 68.868 -0.083 0.000 0.962 433 T HN 0.062 nan 8.240 nan 0.000 0.506 434 Q N 0.834 120.314 119.800 -0.534 0.000 2.172 434 Q HA 0.667 5.007 4.340 0.000 0.000 0.217 434 Q C -0.022 175.162 176.000 -1.361 0.000 0.832 434 Q CA -0.062 55.285 55.803 -0.759 0.000 1.010 434 Q CB 1.244 29.803 28.738 -0.297 0.000 1.133 434 Q HN 0.716 nan 8.270 nan 0.000 0.489 435 A N 0.304 122.325 122.820 -1.331 0.000 2.601 435 A HA 0.779 5.099 4.320 0.000 0.000 0.291 435 A C -1.349 176.067 177.584 -0.280 0.000 1.075 435 A CA -0.668 50.861 52.037 -0.846 0.000 0.671 435 A CB 1.797 20.450 19.000 -0.578 0.000 1.277 435 A HN 0.074 nan 8.150 nan 0.000 0.417 436 R N 0.675 121.212 120.500 0.061 0.000 2.651 436 R HA 0.316 4.656 4.340 0.000 0.000 0.278 436 R C -1.086 175.171 176.300 -0.073 0.000 1.010 436 R CA -0.661 55.428 56.100 -0.018 0.000 0.896 436 R CB 1.427 31.784 30.300 0.096 0.000 1.211 436 R HN 1.037 nan 8.270 nan 0.000 0.456 437 H N 1.893 120.605 119.070 -0.598 0.000 3.064 437 H HA -0.045 4.511 4.556 0.000 0.000 0.329 437 H C 0.689 175.934 175.328 -0.137 0.000 1.020 437 H CA 1.321 57.109 56.048 -0.434 0.000 1.402 437 H CB 1.420 30.845 29.762 -0.563 0.000 1.379 437 H HN 0.786 nan 8.280 nan 0.000 0.594 438 A N 5.046 127.704 122.820 -0.271 0.000 1.972 438 A HA -0.155 4.165 4.320 0.000 0.000 0.219 438 A C 1.863 179.450 177.584 0.005 0.000 1.169 438 A CA 1.555 53.527 52.037 -0.108 0.000 0.635 438 A CB 0.080 18.998 19.000 -0.136 0.000 0.810 438 A HN 0.803 nan 8.150 nan 0.000 0.446 439 E N -0.976 119.326 120.200 0.170 0.000 2.290 439 E HA 0.226 4.576 4.350 0.000 0.000 0.199 439 E C 0.069 176.769 176.600 0.167 0.000 0.912 439 E CA 0.174 56.699 56.400 0.208 0.000 0.924 439 E CB 0.082 29.922 29.700 0.232 0.000 0.901 439 E HN 0.591 nan 8.360 nan 0.000 0.487 440 I N 1.967 122.660 120.570 0.206 0.000 2.330 440 I HA 0.243 4.413 4.170 0.000 0.000 0.286 440 I C 1.143 177.205 176.117 -0.092 0.000 1.025 440 I CA -0.484 60.754 61.300 -0.104 0.000 1.197 440 I CB 1.675 39.423 38.000 -0.420 0.000 1.358 440 I HN -0.085 nan 8.210 nan 0.000 0.467 441 A N 4.227 127.023 122.820 -0.039 0.000 1.948 441 A HA -0.198 4.122 4.320 0.000 0.000 0.220 441 A C 2.267 179.831 177.584 -0.033 0.000 1.177 441 A CA 2.280 54.305 52.037 -0.021 0.000 0.636 441 A CB -0.483 18.517 19.000 0.000 0.000 0.815 441 A HN 0.764 nan 8.150 nan 0.000 0.449 442 S N -1.205 114.470 115.700 -0.042 0.000 2.607 442 S HA 0.209 4.679 4.470 0.000 0.000 0.224 442 S C 0.270 174.844 174.600 -0.042 0.000 0.969 442 S CA 0.344 58.541 58.200 -0.004 0.000 0.927 442 S CB -0.454 62.769 63.200 0.039 0.000 0.772 442 S HN 0.157 nan 8.310 nan 0.000 0.533 443 V N 2.143 121.948 119.914 -0.182 0.000 2.347 443 V HA 0.713 4.833 4.120 0.000 0.000 0.280 443 V C 1.003 176.808 176.094 -0.482 0.000 1.021 443 V CA 0.189 62.281 62.300 -0.346 0.000 0.847 443 V CB -0.067 31.368 31.823 -0.646 0.000 0.990 443 V HN 0.719 nan 8.190 nan 0.000 0.444 444 G N 4.998 113.658 108.800 -0.234 0.000 2.499 444 G HA2 -0.208 3.752 3.960 0.000 0.000 0.232 444 G HA3 -0.208 3.752 3.960 0.000 0.000 0.232 444 G C -0.206 174.628 174.900 -0.110 0.000 1.251 444 G CA 0.156 45.200 45.100 -0.094 0.000 0.917 444 G HN 0.901 nan 8.290 nan 0.000 0.580 445 R N 0.631 121.044 120.500 -0.145 0.000 2.358 445 R HA 0.463 4.803 4.340 0.000 0.000 0.309 445 R C -0.968 175.353 176.300 0.034 0.000 1.026 445 R CA -0.488 55.493 56.100 -0.198 0.000 0.909 445 R CB 0.643 30.668 30.300 -0.459 0.000 1.153 445 R HN 0.579 nan 8.270 nan 0.000 0.515 446 D N 2.745 123.219 120.400 0.124 0.000 2.417 446 D HA 0.170 4.810 4.640 0.000 0.000 0.250 446 D C 0.930 177.375 176.300 0.241 0.000 1.166 446 D CA 1.927 56.033 54.000 0.176 0.000 0.881 446 D CB 0.856 41.741 40.800 0.141 0.000 1.164 446 D HN 0.791 nan 8.370 nan 0.000 0.467 447 G N 3.454 112.365 108.800 0.184 0.000 2.147 447 G HA2 -0.341 3.619 3.960 0.000 0.000 0.244 447 G HA3 -0.341 3.619 3.960 0.000 0.000 0.244 447 G C 0.788 175.782 174.900 0.157 0.000 1.005 447 G CA 0.462 45.674 45.100 0.187 0.000 0.713 447 G HN 0.603 nan 8.290 nan 0.000 0.515 448 F N 0.226 120.187 119.950 0.018 0.000 2.234 448 F HA 0.184 4.711 4.527 0.000 0.000 0.299 448 F C 1.984 177.807 175.800 0.039 0.000 1.087 448 F CA 1.503 59.494 58.000 -0.015 0.000 1.340 448 F CB -0.400 38.530 39.000 -0.116 0.000 1.031 448 F HN 0.258 nan 8.300 nan 0.000 0.500 449 E N 0.509 120.193 120.200 -0.859 0.000 2.038 449 E HA -0.200 4.150 4.350 0.000 0.000 0.195 449 E C 1.941 178.375 176.600 -0.278 0.000 1.000 449 E CA 2.063 58.081 56.400 -0.637 0.000 0.803 449 E CB -0.879 28.342 29.700 -0.799 0.000 0.750 449 E HN 0.508 nan 8.360 nan 0.000 0.448 450 Y N -0.546 119.643 120.300 -0.185 0.000 2.128 450 Y HA -0.262 4.288 4.550 0.000 0.000 0.284 450 Y C 2.325 178.147 175.900 -0.129 0.000 1.154 450 Y CA 1.533 59.536 58.100 -0.162 0.000 1.149 450 Y CB -0.914 37.456 38.460 -0.150 0.000 0.976 450 Y HN 0.178 nan 8.280 nan 0.000 0.505 451 Y N 1.039 121.364 120.300 0.043 0.000 2.145 451 Y HA -0.270 4.280 4.550 0.000 0.000 0.286 451 Y C 2.087 177.987 175.900 0.001 0.000 1.145 451 Y CA 1.920 60.044 58.100 0.039 0.000 1.148 451 Y CB -0.414 38.149 38.460 0.172 0.000 0.981 451 Y HN 0.083 nan 8.280 nan 0.000 0.507 452 D N -0.299 120.184 120.400 0.138 0.000 2.104 452 D HA -0.200 4.440 4.640 0.000 0.000 0.194 452 D C 2.306 178.550 176.300 -0.093 0.000 0.994 452 D CA 1.736 55.740 54.000 0.007 0.000 0.830 452 D CB -0.402 40.442 40.800 0.074 0.000 0.959 452 D HN 0.207 nan 8.370 nan 0.000 0.452 453 K N 0.063 120.411 120.400 -0.087 0.000 2.062 453 K HA 0.031 4.351 4.320 0.000 0.000 0.205 453 K C 2.219 178.735 176.600 -0.140 0.000 1.051 453 K CA 0.477 56.703 56.287 -0.103 0.000 0.941 453 K CB -0.390 32.052 32.500 -0.097 0.000 0.719 453 K HN 0.234 nan 8.250 nan 0.000 0.440 454 L N -1.787 119.306 121.223 -0.216 0.000 2.609 454 L HA 0.381 4.721 4.340 0.000 0.000 0.230 454 L C 1.603 178.299 176.870 -0.289 0.000 1.087 454 L CA 0.522 55.168 54.840 -0.324 0.000 0.874 454 L CB 0.440 42.096 42.059 -0.672 0.000 1.114 454 L HN 0.564 nan 8.230 nan 0.000 0.488 455 G N 0.389 108.998 108.800 -0.319 0.000 2.132 455 G HA2 -0.306 3.654 3.960 0.000 0.000 0.234 455 G HA3 -0.306 3.654 3.960 0.000 0.000 0.234 455 G C -0.058 174.770 174.900 -0.119 0.000 0.989 455 G CA 0.349 45.279 45.100 -0.284 0.000 0.676 455 G HN 0.484 nan 8.290 nan 0.000 0.522 456 Y N -3.812 116.404 120.300 -0.140 0.000 2.732 456 Y HA 0.598 5.148 4.550 0.000 0.000 0.342 456 Y C -0.598 175.398 175.900 0.160 0.000 1.203 456 Y CA -1.566 56.571 58.100 0.062 0.000 1.092 456 Y CB 0.625 39.080 38.460 -0.008 0.000 1.345 456 Y HN 0.457 nan 8.280 nan 0.000 0.458 457 V N 3.633 123.753 119.914 0.343 0.000 2.407 457 V HA 0.521 4.641 4.120 0.000 0.000 0.278 457 V C -2.222 173.961 176.094 0.149 0.000 1.037 457 V CA -1.713 60.695 62.300 0.180 0.000 0.900 457 V CB 1.177 33.109 31.823 0.182 0.000 0.983 457 V HN 0.630 nan 8.190 nan 0.000 0.459 458 P HA 0.308 nan 4.420 nan 0.000 0.284 458 P C -1.601 175.643 177.300 -0.093 0.000 1.258 458 P CA -0.544 62.515 63.100 -0.068 0.000 0.824 458 P CB 1.065 32.542 31.700 -0.371 0.000 1.038 459 Y N 4.393 124.574 120.300 -0.197 0.000 2.349 459 Y HA 0.425 4.975 4.550 0.000 0.000 0.324 459 Y C -2.330 173.460 175.900 -0.183 0.000 1.005 459 Y CA -2.189 55.783 58.100 -0.212 0.000 1.240 459 Y CB 2.245 40.542 38.460 -0.271 0.000 1.117 459 Y HN 0.214 nan 8.280 nan 0.000 0.463 460 P HA 0.225 nan 4.420 nan 0.000 0.312 460 P C 0.077 177.051 177.300 -0.544 0.000 1.397 460 P CA 0.098 62.460 63.100 -1.230 0.000 1.197 460 P CB 1.087 32.251 31.700 -0.893 0.000 1.605 461 E N 0.011 120.007 120.200 -0.340 0.000 2.153 461 E HA -0.015 4.335 4.350 0.000 0.000 0.194 461 E C 0.561 177.103 176.600 -0.097 0.000 0.988 461 E CA 1.145 57.422 56.400 -0.204 0.000 0.811 461 E CB -0.073 29.439 29.700 -0.313 0.000 0.746 461 E HN 0.080 nan 8.360 nan 0.000 0.466 462 V N 1.555 121.423 119.914 -0.075 0.000 2.577 462 V HA 0.291 4.411 4.120 0.000 0.000 0.303 462 V C -2.560 173.590 176.094 0.094 0.000 1.042 462 V CA -2.363 59.951 62.300 0.023 0.000 0.872 462 V CB 1.937 33.794 31.823 0.056 0.000 0.998 462 V HN -0.089 nan 8.190 nan 0.000 0.423 463 P HA 0.192 nan 4.420 nan 0.000 0.268 463 P C 0.160 177.439 177.300 -0.034 0.000 1.205 463 P CA 0.273 63.428 63.100 0.092 0.000 0.771 463 P CB 0.230 31.952 31.700 0.036 0.000 0.858 464 E N 0.654 120.758 120.200 -0.159 0.000 2.637 464 E HA -0.300 4.050 4.350 0.000 0.000 0.265 464 E C 1.022 177.413 176.600 -0.348 0.000 1.073 464 E CA 0.416 56.626 56.400 -0.316 0.000 0.778 464 E CB -1.600 27.948 29.700 -0.254 0.000 1.362 464 E HN 0.548 nan 8.360 nan 0.000 0.413 465 A N -0.331 122.323 122.820 -0.277 0.000 1.940 465 A HA -0.217 4.103 4.320 0.000 0.000 0.219 465 A C 2.240 179.659 177.584 -0.274 0.000 1.176 465 A CA 2.074 53.994 52.037 -0.195 0.000 0.631 465 A CB -0.271 18.693 19.000 -0.060 0.000 0.814 465 A HN 0.347 nan 8.150 nan 0.000 0.446 466 T N -0.112 114.170 114.554 -0.452 0.000 2.809 466 T HA 0.107 4.457 4.350 0.000 0.000 0.260 466 T C 2.287 176.762 174.700 -0.375 0.000 1.039 466 T CA 1.295 63.160 62.100 -0.393 0.000 1.141 466 T CB -0.407 68.095 68.868 -0.610 0.000 0.869 466 T HN 0.577 nan 8.240 nan 0.000 0.437 467 A N 1.893 124.321 122.820 -0.654 0.000 1.908 467 A HA -0.157 4.163 4.320 0.000 0.000 0.218 467 A C 2.229 179.499 177.584 -0.524 0.000 1.181 467 A CA 1.699 53.166 52.037 -0.950 0.000 0.627 467 A CB -0.469 17.549 19.000 -1.636 0.000 0.818 467 A HN 0.456 nan 8.150 nan 0.000 0.445 468 K N -0.925 119.172 120.400 -0.505 0.000 2.063 468 K HA -0.109 4.211 4.320 0.000 0.000 0.208 468 K C 2.117 178.171 176.600 -0.909 0.000 1.048 468 K CA 1.810 57.664 56.287 -0.722 0.000 0.928 468 K CB -0.441 31.680 32.500 -0.631 0.000 0.713 468 K HN 0.487 nan 8.250 nan 0.000 0.442 469 T N 1.870 116.192 114.554 -0.387 0.000 2.720 469 T HA -0.116 4.234 4.350 0.000 0.000 0.268 469 T C 1.842 176.615 174.700 0.123 0.000 1.037 469 T CA 1.172 63.268 62.100 -0.006 0.000 1.144 469 T CB -0.198 68.790 68.868 0.200 0.000 0.864 469 T HN 0.101 nan 8.240 nan 0.000 0.444 470 L N 0.677 121.963 121.223 0.104 0.000 2.093 470 L HA -0.043 4.297 4.340 0.000 0.000 0.208 470 L C 2.852 179.876 176.870 0.257 0.000 1.085 470 L CA 1.131 56.116 54.840 0.241 0.000 0.755 470 L CB -0.524 41.715 42.059 0.299 0.000 0.904 470 L HN 0.210 nan 8.230 nan 0.000 0.435 471 E N -0.411 119.913 120.200 0.207 0.000 2.106 471 E HA -0.189 4.161 4.350 0.000 0.000 0.192 471 E C 2.235 179.053 176.600 0.362 0.000 0.984 471 E CA 1.183 57.782 56.400 0.331 0.000 0.806 471 E CB -0.158 29.753 29.700 0.351 0.000 0.750 471 E HN 0.480 nan 8.360 nan 0.000 0.458 472 Y N 0.937 121.314 120.300 0.128 0.000 2.163 472 Y HA -0.077 4.473 4.550 0.000 0.000 0.288 472 Y C 2.550 178.519 175.900 0.115 0.000 1.136 472 Y CA 0.388 58.477 58.100 -0.018 0.000 1.147 472 Y CB -1.328 36.879 38.460 -0.423 0.000 0.987 472 Y HN -0.001 nan 8.280 nan 0.000 0.509 473 A N -0.421 122.657 122.820 0.429 0.000 1.908 473 A HA -0.274 4.046 4.320 0.000 0.000 0.218 473 A C 2.187 179.861 177.584 0.149 0.000 1.181 473 A CA 1.794 54.073 52.037 0.403 0.000 0.627 473 A CB -1.436 17.865 19.000 0.502 0.000 0.818 473 A HN 0.540 nan 8.150 nan 0.000 0.445 474 Y N 0.660 120.937 120.300 -0.037 0.000 2.145 474 Y HA -0.069 4.481 4.550 0.000 0.000 0.286 474 Y C 2.596 178.512 175.900 0.027 0.000 1.145 474 Y CA 1.249 59.209 58.100 -0.232 0.000 1.148 474 Y CB -0.706 37.757 38.460 0.006 0.000 0.981 474 Y HN 0.293 nan 8.280 nan 0.000 0.507 475 A N 0.357 123.089 122.820 -0.146 0.000 1.902 475 A HA -0.200 4.121 4.320 0.000 0.000 0.217 475 A C 1.963 179.449 177.584 -0.164 0.000 1.181 475 A CA 2.028 53.915 52.037 -0.250 0.000 0.623 475 A CB -0.916 18.043 19.000 -0.067 0.000 0.818 475 A HN 0.568 nan 8.150 nan 0.000 0.443 476 D N -1.489 118.929 120.400 0.030 0.000 2.144 476 D HA -0.182 4.458 4.640 0.000 0.000 0.199 476 D C 1.570 177.900 176.300 0.051 0.000 0.984 476 D CA 1.307 55.413 54.000 0.178 0.000 0.834 476 D CB -0.485 40.514 40.800 0.332 0.000 0.955 476 D HN 0.779 nan 8.370 nan 0.000 0.465 477 W N 1.286 122.475 121.300 -0.186 0.000 2.338 477 W HA -0.272 4.388 4.660 0.000 0.000 0.304 477 W C 2.246 178.604 176.519 -0.268 0.000 1.212 477 W CA 1.201 58.421 57.345 -0.208 0.000 1.264 477 W CB -0.404 28.915 29.460 -0.235 0.000 1.142 477 W HN -0.046 nan 8.180 nan 0.000 0.512 478 C N 0.319 119.440 119.300 -0.299 0.000 2.429 478 C HA -0.177 4.283 4.460 0.000 0.000 0.277 478 C C 2.688 177.361 174.990 -0.527 0.000 1.262 478 C CA 1.264 59.973 59.018 -0.515 0.000 1.733 478 C CB -1.444 26.029 27.740 -0.445 0.000 2.010 478 C HN 0.373 nan 8.230 nan 0.000 0.483 479 I N 1.247 121.529 120.570 -0.481 0.000 2.394 479 I HA -0.169 4.001 4.170 0.000 0.000 0.251 479 I C 2.725 178.522 176.117 -0.534 0.000 1.136 479 I CA 1.382 62.354 61.300 -0.545 0.000 1.425 479 I CB -0.552 36.962 38.000 -0.811 0.000 1.079 479 I HN 0.275 nan 8.210 nan 0.000 0.425 480 A N 0.986 123.448 122.820 -0.597 0.000 1.877 480 A HA -0.176 4.144 4.320 0.000 0.000 0.216 480 A C 2.418 179.545 177.584 -0.762 0.000 1.186 480 A CA 1.236 52.793 52.037 -0.801 0.000 0.620 480 A CB -0.452 17.675 19.000 -1.455 0.000 0.822 480 A HN 0.230 nan 8.150 nan 0.000 0.443 481 R N -1.667 118.366 120.500 -0.780 0.000 2.091 481 R HA -0.156 4.184 4.340 0.000 0.000 0.238 481 R C 1.962 178.089 176.300 -0.288 0.000 1.136 481 R CA 1.616 57.411 56.100 -0.509 0.000 0.959 481 R CB -0.991 28.869 30.300 -0.734 0.000 0.856 481 R HN 0.615 nan 8.270 nan 0.000 0.437 482 F N 1.297 120.971 119.950 -0.461 0.000 2.051 482 F HA -0.179 4.348 4.527 0.000 0.000 0.296 482 F C 2.416 177.995 175.800 -0.368 0.000 1.122 482 F CA 1.491 59.234 58.000 -0.428 0.000 1.201 482 F CB -0.646 38.043 39.000 -0.518 0.000 0.978 482 F HN 0.039 nan 8.300 nan 0.000 0.472 483 A N -0.101 122.533 122.820 -0.310 0.000 1.892 483 A HA -0.314 4.007 4.320 0.000 0.000 0.218 483 A C 2.243 179.671 177.584 -0.261 0.000 1.188 483 A CA 2.077 53.926 52.037 -0.314 0.000 0.631 483 A CB -1.230 17.632 19.000 -0.230 0.000 0.822 483 A HN 0.620 nan 8.150 nan 0.000 0.447 484 E N 0.253 120.331 120.200 -0.203 0.000 2.085 484 E HA -0.210 4.140 4.350 0.000 0.000 0.194 484 E C 2.125 178.669 176.600 -0.094 0.000 0.994 484 E CA 1.810 58.160 56.400 -0.084 0.000 0.801 484 E CB -0.181 29.536 29.700 0.028 0.000 0.743 484 E HN 0.731 nan 8.360 nan 0.000 0.453 485 S N 0.105 115.719 115.700 -0.144 0.000 2.453 485 S HA -0.039 4.431 4.470 0.000 0.000 0.231 485 S C 1.953 176.479 174.600 -0.123 0.000 1.005 485 S CA 0.451 58.597 58.200 -0.091 0.000 0.949 485 S CB -0.242 62.940 63.200 -0.030 0.000 0.774 485 S HN 0.338 nan 8.310 nan 0.000 0.510 486 L N 0.656 121.720 121.223 -0.265 0.000 2.492 486 L HA 0.243 4.583 4.340 0.000 0.000 0.223 486 L C 2.073 178.860 176.870 -0.138 0.000 1.132 486 L CA 0.630 55.321 54.840 -0.248 0.000 0.850 486 L CB -0.779 41.023 42.059 -0.429 0.000 0.966 486 L HN 0.656 nan 8.230 nan 0.000 0.454 487 G N 0.401 109.136 108.800 -0.108 0.000 2.175 487 G HA2 -0.270 3.691 3.960 0.000 0.000 0.244 487 G HA3 -0.270 3.691 3.960 0.000 0.000 0.244 487 G C 0.296 175.162 174.900 -0.056 0.000 0.982 487 G CA -0.269 44.795 45.100 -0.059 0.000 0.641 487 G HN 0.367 nan 8.290 nan 0.000 0.527 488 K N 0.607 120.955 120.400 -0.087 0.000 2.150 488 K HA 0.346 4.666 4.320 0.000 0.000 0.261 488 K C 1.193 177.771 176.600 -0.036 0.000 1.127 488 K CA -0.325 55.923 56.287 -0.065 0.000 0.989 488 K CB 0.959 33.403 32.500 -0.093 0.000 1.475 488 K HN 0.181 nan 8.250 nan 0.000 0.391 489 Q N 1.572 121.370 119.800 -0.003 0.000 2.172 489 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 489 Q C 0.855 176.884 176.000 0.049 0.000 0.964 489 Q CA 1.721 57.544 55.803 0.033 0.000 0.855 489 Q CB 0.223 28.987 28.738 0.042 0.000 0.918 489 Q HN 0.466 nan 8.270 nan 0.000 0.444 490 D N -0.423 119.997 120.400 0.033 0.000 2.097 490 D HA -0.109 4.531 4.640 0.000 0.000 0.197 490 D C 1.790 178.123 176.300 0.054 0.000 0.984 490 D CA 1.015 55.040 54.000 0.042 0.000 0.826 490 D CB -0.094 40.723 40.800 0.027 0.000 0.973 490 D HN 0.307 nan 8.370 nan 0.000 0.460 491 I N 1.082 121.677 120.570 0.041 0.000 2.226 491 I HA -0.262 3.908 4.170 0.000 0.000 0.245 491 I C 2.437 178.609 176.117 0.092 0.000 1.100 491 I CA 0.996 62.340 61.300 0.073 0.000 1.374 491 I CB -0.152 37.860 38.000 0.020 0.000 1.057 491 I HN -0.079 nan 8.210 nan 0.000 0.413 492 A N 0.515 123.341 122.820 0.010 0.000 1.892 492 A HA -0.286 4.034 4.320 0.000 0.000 0.218 492 A C 1.955 179.580 177.584 0.068 0.000 1.188 492 A CA 2.345 54.348 52.037 -0.057 0.000 0.631 492 A CB -0.713 18.271 19.000 -0.028 0.000 0.822 492 A HN 0.359 nan 8.150 nan 0.000 0.447 493 D N -0.583 119.915 120.400 0.163 0.000 2.144 493 D HA -0.143 4.498 4.640 0.000 0.000 0.199 493 D C 2.211 178.607 176.300 0.159 0.000 0.984 493 D CA 1.414 55.546 54.000 0.219 0.000 0.834 493 D CB -0.430 40.463 40.800 0.155 0.000 0.955 493 D HN 0.645 nan 8.370 nan 0.000 0.465 494 Q N -0.748 119.111 119.800 0.098 0.000 2.061 494 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 494 Q C 2.023 177.980 176.000 -0.071 0.000 0.984 494 Q CA 1.274 57.080 55.803 0.005 0.000 0.846 494 Q CB -0.194 28.530 28.738 -0.023 0.000 0.902 494 Q HN 0.452 nan 8.270 nan 0.000 0.421 495 Y N -1.555 118.720 120.300 -0.042 0.000 2.286 495 Y HA -0.182 4.368 4.550 0.000 0.000 0.293 495 Y C 1.898 177.772 175.900 -0.042 0.000 1.124 495 Y CA 0.818 58.869 58.100 -0.082 0.000 1.178 495 Y CB -0.033 38.312 38.460 -0.192 0.000 1.010 495 Y HN 0.133 nan 8.280 nan 0.000 0.536 496 Y N 0.386 120.767 120.300 0.136 0.000 2.256 496 Y HA -0.286 4.264 4.550 0.000 0.000 0.288 496 Y C 2.401 178.349 175.900 0.081 0.000 1.155 496 Y CA 1.037 59.193 58.100 0.092 0.000 1.203 496 Y CB -0.624 37.960 38.460 0.206 0.000 0.980 496 Y HN 0.161 nan 8.280 nan 0.000 0.530 497 Q N 0.452 120.383 119.800 0.218 0.000 2.135 497 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 497 Q C 1.811 177.860 176.000 0.081 0.000 0.981 497 Q CA 1.607 57.486 55.803 0.128 0.000 0.856 497 Q CB -0.196 28.571 28.738 0.048 0.000 0.902 497 Q HN 0.525 nan 8.270 nan 0.000 0.425 498 K N -0.540 119.898 120.400 0.064 0.000 2.361 498 K HA 0.159 4.479 4.320 0.000 0.000 0.196 498 K C 1.969 178.675 176.600 0.177 0.000 1.039 498 K CA 0.512 56.843 56.287 0.073 0.000 1.001 498 K CB 0.100 32.645 32.500 0.075 0.000 0.795 498 K HN 0.056 nan 8.250 nan 0.000 0.495 499 A N 2.618 125.551 122.820 0.188 0.000 1.948 499 A HA -0.120 4.200 4.320 0.000 0.000 0.220 499 A C -0.697 177.127 177.584 0.400 0.000 1.177 499 A CA 1.339 53.536 52.037 0.267 0.000 0.636 499 A CB -1.173 17.892 19.000 0.109 0.000 0.815 499 A HN 0.176 nan 8.150 nan 0.000 0.449 500 P HA 0.096 nan 4.420 nan 0.000 0.257 500 P C 0.339 177.528 177.300 -0.186 0.000 1.325 500 P CA -0.040 63.068 63.100 0.014 0.000 0.850 500 P CB 0.021 31.733 31.700 0.020 0.000 1.324 501 N N 0.207 118.945 118.700 0.065 0.000 2.334 501 N HA -0.196 4.544 4.740 0.000 0.000 0.187 501 N C 1.494 177.061 175.510 0.095 0.000 1.016 501 N CA 1.059 54.142 53.050 0.055 0.000 0.879 501 N CB -0.878 37.662 38.487 0.089 0.000 0.965 501 N HN 0.425 nan 8.380 nan 0.000 0.438 502 Y N 0.103 120.530 120.300 0.211 0.000 2.315 502 Y HA -0.035 4.515 4.550 0.000 0.000 0.288 502 Y C 1.951 177.951 175.900 0.167 0.000 1.154 502 Y CA 0.877 59.093 58.100 0.193 0.000 1.229 502 Y CB -0.673 37.889 38.460 0.169 0.000 0.980 502 Y HN -0.098 nan 8.280 nan 0.000 0.540 503 R N 0.596 120.815 120.500 -0.469 0.000 2.193 503 R HA -0.111 4.229 4.340 0.000 0.000 0.229 503 R C 1.384 177.709 176.300 0.043 0.000 1.110 503 R CA 1.120 57.090 56.100 -0.217 0.000 0.988 503 R CB -0.340 29.771 30.300 -0.314 0.000 0.871 503 R HN 0.432 nan 8.270 nan 0.000 0.458 504 N N 0.389 119.107 118.700 0.031 0.000 2.512 504 N HA -0.058 4.682 4.740 0.000 0.000 0.183 504 N C 1.018 176.517 175.510 -0.018 0.000 1.073 504 N CA 0.929 53.989 53.050 0.017 0.000 0.911 504 N CB 0.281 38.798 38.487 0.051 0.000 0.964 504 N HN 0.258 nan 8.380 nan 0.000 0.447 505 L N -0.836 120.478 121.223 0.153 0.000 2.906 505 L HA 0.224 4.564 4.340 0.000 0.000 0.255 505 L C -0.204 176.984 176.870 0.530 0.000 1.166 505 L CA -0.397 54.603 54.840 0.268 0.000 0.977 505 L CB 0.069 42.228 42.059 0.167 0.000 1.313 505 L HN -0.003 nan 8.230 nan 0.000 0.549 506 Y N 0.499 121.008 120.300 0.348 0.000 2.377 506 Y HA 0.135 4.685 4.550 0.000 0.000 0.330 506 Y C -0.573 175.490 175.900 0.273 0.000 1.108 506 Y CA -0.183 58.082 58.100 0.277 0.000 1.308 506 Y CB 0.438 39.001 38.460 0.171 0.000 1.216 506 Y HN -0.039 nan 8.280 nan 0.000 0.518 507 Y N 10.115 130.013 120.300 -0.670 0.000 2.491 507 Y HA 0.365 4.915 4.550 0.000 0.000 0.334 507 Y C -2.005 173.419 175.900 -0.794 0.000 0.969 507 Y CA -3.789 53.771 58.100 -0.900 0.000 1.241 507 Y CB 1.099 38.885 38.460 -1.123 0.000 1.105 507 Y HN 0.542 nan 8.280 nan 0.000 0.503 508 P HA -0.112 nan 4.420 nan 0.000 0.216 508 P C 1.500 178.615 177.300 -0.308 0.000 1.153 508 P CA 2.408 65.439 63.100 -0.116 0.000 0.848 508 P CB 0.287 32.035 31.700 0.080 0.000 0.787 509 E N -0.248 119.684 120.200 -0.447 0.000 2.160 509 E HA -0.255 4.095 4.350 0.000 0.000 0.195 509 E C 1.795 177.839 176.600 -0.927 0.000 0.991 509 E CA 1.461 57.455 56.400 -0.676 0.000 0.810 509 E CB -1.625 27.569 29.700 -0.843 0.000 0.742 509 E HN 0.492 nan 8.360 nan 0.000 0.466 510 H N -2.202 116.329 119.070 -0.898 0.000 2.729 510 H HA 0.356 4.912 4.556 0.000 0.000 0.263 510 H C 1.807 176.819 175.328 -0.527 0.000 0.961 510 H CA 0.693 56.215 56.048 -0.878 0.000 1.217 510 H CB 1.387 30.093 29.762 -1.761 0.000 1.447 510 H HN 0.598 nan 8.280 nan 0.000 0.496 511 G N 0.595 109.086 108.800 -0.515 0.000 2.141 511 G HA2 -0.242 3.718 3.960 0.000 0.000 0.242 511 G HA3 -0.242 3.718 3.960 0.000 0.000 0.242 511 G C -0.260 174.176 174.900 -0.772 0.000 0.982 511 G CA 0.081 44.864 45.100 -0.529 0.000 0.662 511 G HN 0.246 nan 8.290 nan 0.000 0.527 512 F N -0.690 118.943 119.950 -0.528 0.000 2.629 512 F HA 0.758 5.285 4.527 0.000 0.000 0.316 512 F C 0.571 176.334 175.800 -0.062 0.000 1.081 512 F CA -1.408 56.493 58.000 -0.164 0.000 0.954 512 F CB 1.140 40.249 39.000 0.181 0.000 1.337 512 F HN -0.117 nan 8.300 nan 0.000 0.474 513 M N 1.916 121.787 119.600 0.451 0.000 2.245 513 M HA -0.004 4.476 4.480 0.000 0.000 0.344 513 M C -0.185 176.615 176.300 0.833 0.000 1.170 513 M CA 0.591 56.221 55.300 0.550 0.000 1.135 513 M CB 0.264 33.198 32.600 0.556 0.000 1.574 513 M HN 0.784 nan 8.290 nan 0.000 0.452 514 W N 0.555 122.115 121.300 0.432 0.000 3.898 514 W HA 0.426 5.086 4.660 0.000 0.000 0.387 514 W C -1.239 175.440 176.519 0.266 0.000 1.146 514 W CA -0.342 57.271 57.345 0.448 0.000 1.065 514 W CB 1.613 31.337 29.460 0.439 0.000 1.660 514 W HN 0.475 nan 8.180 nan 0.000 0.627 515 T N 1.620 116.032 114.554 -0.238 0.000 2.900 515 T HA 0.494 4.844 4.350 0.000 0.000 0.303 515 T C -1.582 173.035 174.700 -0.139 0.000 1.142 515 T CA -0.466 61.447 62.100 -0.311 0.000 1.007 515 T CB 1.926 70.419 68.868 -0.625 0.000 1.156 515 T HN 0.292 nan 8.240 nan 0.000 0.490 516 K N 2.207 122.445 120.400 -0.271 0.000 2.375 516 K HA 0.510 4.830 4.320 0.000 0.000 0.249 516 K C -0.735 175.798 176.600 -0.112 0.000 0.942 516 K CA -0.993 55.104 56.287 -0.316 0.000 0.806 516 K CB 1.527 33.585 32.500 -0.738 0.000 1.227 516 K HN 0.796 nan 8.250 nan 0.000 0.430 517 D N 0.548 120.892 120.400 -0.092 0.000 2.447 517 D HA 0.131 4.771 4.640 0.000 0.000 0.265 517 D C 0.857 177.116 176.300 -0.068 0.000 1.250 517 D CA -0.428 53.516 54.000 -0.093 0.000 1.046 517 D CB 0.304 41.041 40.800 -0.105 0.000 1.095 517 D HN 0.421 nan 8.370 nan 0.000 0.555 518 A N -0.973 121.749 122.820 -0.162 0.000 2.070 518 A HA 0.071 4.391 4.320 0.000 0.000 0.220 518 A C 2.127 179.668 177.584 -0.071 0.000 1.159 518 A CA 2.343 54.271 52.037 -0.182 0.000 0.656 518 A CB -1.277 17.606 19.000 -0.195 0.000 0.800 518 A HN 0.688 nan 8.150 nan 0.000 0.453 519 K N -1.309 119.058 120.400 -0.055 0.000 2.404 519 K HA 0.408 4.728 4.320 0.000 0.000 0.194 519 K C 1.511 178.083 176.600 -0.047 0.000 1.023 519 K CA 1.145 57.407 56.287 -0.040 0.000 1.094 519 K CB -1.043 31.435 32.500 -0.036 0.000 0.841 519 K HN 1.826 nan 8.250 nan 0.000 0.523 520 G N 0.284 109.054 108.800 -0.050 0.000 2.175 520 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 520 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 520 G C -0.043 174.680 174.900 -0.296 0.000 0.982 520 G CA 0.014 45.032 45.100 -0.138 0.000 0.641 520 G HN 0.645 nan 8.290 nan 0.000 0.527 521 N N 0.214 118.806 118.700 -0.179 0.000 2.475 521 N HA 0.394 5.134 4.740 0.000 0.000 0.267 521 N C 0.233 175.670 175.510 -0.121 0.000 1.169 521 N CA -0.280 52.691 53.050 -0.132 0.000 0.947 521 N CB 0.305 38.784 38.487 -0.012 0.000 1.061 521 N HN 0.409 nan 8.380 nan 0.000 0.466 522 W N 1.770 123.050 121.300 -0.032 0.000 2.257 522 W HA 0.044 4.704 4.660 0.000 0.000 0.337 522 W C 1.273 177.906 176.519 0.190 0.000 1.321 522 W CA -0.565 56.791 57.345 0.018 0.000 1.267 522 W CB 0.325 29.734 29.460 -0.085 0.000 1.187 522 W HN 0.344 nan 8.180 nan 0.000 0.565 523 R N 3.177 123.988 120.500 0.518 0.000 2.679 523 R HA -0.041 4.299 4.340 0.000 0.000 0.268 523 R C 0.170 176.879 176.300 0.683 0.000 1.044 523 R CA -0.298 56.076 56.100 0.457 0.000 1.105 523 R CB 0.321 30.747 30.300 0.209 0.000 0.989 523 R HN 0.426 nan 8.270 nan 0.000 0.447 524 D N 2.933 123.592 120.400 0.432 0.000 2.371 524 D HA 0.047 4.687 4.640 0.000 0.000 0.242 524 D C -0.003 176.508 176.300 0.353 0.000 1.218 524 D CA 0.065 54.276 54.000 0.350 0.000 0.945 524 D CB 0.407 41.340 40.800 0.222 0.000 1.137 524 D HN 0.431 nan 8.370 nan 0.000 0.464 525 R N 0.223 120.849 120.500 0.209 0.000 3.059 525 R HA -0.224 4.116 4.340 0.000 0.000 0.251 525 R C -0.476 175.829 176.300 0.009 0.000 0.886 525 R CA 0.049 56.213 56.100 0.107 0.000 0.634 525 R CB -2.623 27.741 30.300 0.106 0.000 1.282 525 R HN 0.455 nan 8.270 nan 0.000 0.487 526 F N 1.605 121.312 119.950 -0.406 0.000 2.607 526 F HA 0.152 4.680 4.527 0.000 0.000 0.374 526 F C 0.550 175.916 175.800 -0.724 0.000 1.104 526 F CA 0.297 57.659 58.000 -1.063 0.000 1.296 526 F CB 0.505 38.507 39.000 -1.663 0.000 1.085 526 F HN 0.310 nan 8.300 nan 0.000 0.584 527 D N 4.415 123.760 120.400 -1.759 0.000 2.591 527 D HA 0.313 4.953 4.640 0.000 0.000 0.222 527 D C 0.138 175.763 176.300 -1.124 0.000 1.360 527 D CA 0.037 53.402 54.000 -1.058 0.000 0.967 527 D CB 1.466 42.034 40.800 -0.387 0.000 1.456 527 D HN 0.640 nan 8.370 nan 0.000 0.588 528 A N 2.342 124.481 122.820 -1.135 0.000 2.067 528 A HA -0.061 4.259 4.320 0.000 0.000 0.219 528 A C 1.701 179.021 177.584 -0.439 0.000 1.158 528 A CA 1.952 53.486 52.037 -0.839 0.000 0.661 528 A CB -0.384 18.059 19.000 -0.928 0.000 0.801 528 A HN 0.594 nan 8.150 nan 0.000 0.452 529 T N -2.630 111.713 114.554 -0.353 0.000 3.086 529 T HA 0.162 4.512 4.350 0.000 0.000 0.250 529 T C 0.443 175.159 174.700 0.027 0.000 1.074 529 T CA 0.148 62.130 62.100 -0.196 0.000 0.988 529 T CB -0.218 68.503 68.868 -0.244 0.000 0.988 529 T HN 0.492 nan 8.240 nan 0.000 0.530 530 E N 1.090 121.291 120.200 0.000 0.000 2.265 530 E HA 0.165 4.515 4.350 0.000 0.000 0.272 530 E C -0.870 175.887 176.600 0.263 0.000 1.067 530 E CA -0.773 55.719 56.400 0.153 0.000 0.900 530 E CB 0.314 30.103 29.700 0.149 0.000 1.017 530 E HN 0.429 nan 8.360 nan 0.000 0.431 531 W N 3.316 124.648 121.300 0.053 0.000 2.129 531 W HA 0.415 5.075 4.660 0.000 0.000 0.349 531 W C 1.085 177.664 176.519 0.099 0.000 1.279 531 W CA 1.162 58.566 57.345 0.097 0.000 1.306 531 W CB 0.603 30.105 29.460 0.069 0.000 1.140 531 W HN 0.880 nan 8.180 nan 0.000 0.613 532 G N 0.281 109.258 108.800 0.295 0.000 2.632 532 G HA2 0.299 4.259 3.960 0.000 0.000 0.224 532 G HA3 0.299 4.259 3.960 0.000 0.000 0.224 532 G C 0.652 175.531 174.900 -0.035 0.000 1.341 532 G CA 0.202 45.386 45.100 0.140 0.000 0.880 532 G HN 1.861 nan 8.290 nan 0.000 0.566 533 G N -0.279 108.439 108.800 -0.137 0.000 2.646 533 G HA2 -0.182 3.778 3.960 0.000 0.000 0.324 533 G HA3 -0.182 3.778 3.960 0.000 0.000 0.324 533 G C -0.096 174.238 174.900 -0.945 0.000 1.195 533 G CA 2.079 46.875 45.100 -0.507 0.000 0.976 533 G HN 1.529 nan 8.290 nan 0.000 0.546 534 P HA 0.155 nan 4.420 nan 0.000 0.226 534 P C 0.406 177.070 177.300 -1.060 0.000 1.153 534 P CA 1.024 63.354 63.100 -1.283 0.000 0.777 534 P CB -0.025 30.795 31.700 -1.467 0.000 0.794 535 F N -0.382 119.271 119.950 -0.495 0.000 2.497 535 F HA 0.442 4.969 4.527 0.000 0.000 0.331 535 F C 0.949 176.523 175.800 -0.377 0.000 1.060 535 F CA -0.613 57.075 58.000 -0.519 0.000 0.989 535 F CB 0.698 39.506 39.000 -0.320 0.000 1.245 535 F HN -0.471 nan 8.300 nan 0.000 0.486 536 T N 1.539 116.006 114.554 -0.146 0.000 2.791 536 T HA 0.261 4.611 4.350 0.000 0.000 0.288 536 T C -0.664 174.195 174.700 0.264 0.000 0.999 536 T CA -0.680 61.425 62.100 0.009 0.000 0.952 536 T CB 0.878 69.707 68.868 -0.066 0.000 0.938 536 T HN 0.548 nan 8.240 nan 0.000 0.444 537 E N 1.014 121.287 120.200 0.122 0.000 2.360 537 E HA -0.182 4.168 4.350 0.000 0.000 0.238 537 E C 0.356 176.727 176.600 -0.382 0.000 1.186 537 E CA 1.204 57.663 56.400 0.097 0.000 0.719 537 E CB -1.512 28.297 29.700 0.182 0.000 1.236 537 E HN 1.139 nan 8.360 nan 0.000 0.386 538 G N -1.270 107.016 108.800 -0.857 0.000 2.315 538 G HA2 0.439 4.399 3.960 0.000 0.000 0.294 538 G HA3 0.439 4.399 3.960 0.000 0.000 0.294 538 G C -0.714 173.697 174.900 -0.816 0.000 1.300 538 G CA -0.010 44.309 45.100 -1.302 0.000 0.843 538 G HN 0.535 nan 8.290 nan 0.000 0.527 539 S N -1.582 113.867 115.700 -0.419 0.000 2.751 539 S HA 0.721 5.191 4.470 0.000 0.000 0.310 539 S C 1.471 175.630 174.600 -0.735 0.000 1.128 539 S CA 0.723 58.605 58.200 -0.530 0.000 0.931 539 S CB 1.395 64.425 63.200 -0.283 0.000 1.177 539 S HN 1.674 nan 8.310 nan 0.000 0.530 540 S N -0.283 114.769 115.700 -1.079 0.000 2.400 540 S HA -0.142 4.328 4.470 0.000 0.000 0.232 540 S C 1.379 175.922 174.600 -0.093 0.000 1.025 540 S CA 1.440 59.276 58.200 -0.607 0.000 0.993 540 S CB -0.795 62.354 63.200 -0.086 0.000 0.808 540 S HN 0.717 nan 8.310 nan 0.000 0.478 541 W N 1.840 122.910 121.300 -0.382 0.000 2.321 541 W HA -0.214 4.446 4.660 0.000 0.000 0.306 541 W C 1.971 178.397 176.519 -0.155 0.000 1.217 541 W CA 2.025 59.214 57.345 -0.261 0.000 1.257 541 W CB -0.533 28.643 29.460 -0.474 0.000 1.145 541 W HN 0.590 nan 8.180 nan 0.000 0.509 542 H N -2.426 116.728 119.070 0.140 0.000 2.355 542 H HA -0.099 4.457 4.556 0.000 0.000 0.303 542 H C 1.965 177.284 175.328 -0.015 0.000 1.061 542 H CA 1.544 57.603 56.048 0.019 0.000 1.368 542 H CB -1.322 28.303 29.762 -0.228 0.000 1.412 542 H HN 0.227 nan 8.280 nan 0.000 0.523 543 W N 1.745 123.117 121.300 0.120 0.000 2.519 543 W HA -0.075 4.585 4.660 0.000 0.000 0.266 543 W C 2.333 178.920 176.519 0.114 0.000 1.253 543 W CA 1.000 58.443 57.345 0.163 0.000 1.274 543 W CB -0.314 29.294 29.460 0.246 0.000 1.114 543 W HN 0.035 nan 8.180 nan 0.000 0.596 544 T N -0.786 113.865 114.554 0.162 0.000 2.869 544 T HA -0.242 4.108 4.350 0.000 0.000 0.270 544 T C 0.716 175.203 174.700 -0.355 0.000 1.082 544 T CA 1.414 63.458 62.100 -0.095 0.000 1.123 544 T CB -0.475 68.224 68.868 -0.281 0.000 0.856 544 T HN 0.292 nan 8.240 nan 0.000 0.499 545 W N 0.700 122.022 121.300 0.036 0.000 3.290 545 W HA 0.360 5.020 4.660 0.000 0.000 0.287 545 W C 1.520 178.054 176.519 0.024 0.000 1.288 545 W CA -0.566 56.763 57.345 -0.027 0.000 1.725 545 W CB 0.159 29.553 29.460 -0.110 0.000 1.103 545 W HN -0.017 nan 8.180 nan 0.000 0.670 546 S N 1.665 117.452 115.700 0.145 0.000 4.069 546 S HA 0.253 4.723 4.470 0.000 0.000 0.192 546 S C -0.073 174.219 174.600 -0.513 0.000 1.441 546 S CA -0.002 58.127 58.200 -0.117 0.000 0.994 546 S CB -0.693 62.614 63.200 0.179 0.000 1.456 546 S HN -0.044 nan 8.310 nan 0.000 0.458 547 V N 5.260 124.800 119.914 -0.624 0.000 2.502 547 V HA 0.250 4.370 4.120 0.000 0.000 0.261 547 V C 0.311 176.016 176.094 -0.648 0.000 0.996 547 V CA -0.570 61.308 62.300 -0.703 0.000 1.095 547 V CB -0.508 30.846 31.823 -0.782 0.000 1.325 547 V HN 0.722 nan 8.190 nan 0.000 0.574 548 F N 0.105 119.889 119.950 -0.276 0.000 2.216 548 F HA -0.131 4.396 4.527 0.000 0.000 0.300 548 F C 2.439 178.093 175.800 -0.243 0.000 1.085 548 F CA 1.540 59.327 58.000 -0.356 0.000 1.326 548 F CB -0.459 38.277 39.000 -0.441 0.000 1.027 548 F HN 0.610 nan 8.300 nan 0.000 0.497 549 H N -1.377 117.557 119.070 -0.226 0.000 2.547 549 H HA 0.115 4.671 4.556 0.000 0.000 0.266 549 H C -0.336 174.845 175.328 -0.246 0.000 0.988 549 H CA 0.940 56.719 56.048 -0.449 0.000 1.147 549 H CB -0.204 28.934 29.762 -1.039 0.000 1.365 549 H HN 0.247 nan 8.280 nan 0.000 0.589 550 D N 0.106 120.116 120.400 -0.650 0.000 3.285 550 D HA 0.188 4.828 4.640 0.000 0.000 0.273 550 D C -2.174 173.890 176.300 -0.393 0.000 1.295 550 D CA -1.565 52.155 54.000 -0.466 0.000 0.762 550 D CB 0.825 41.349 40.800 -0.459 0.000 1.379 550 D HN 0.010 nan 8.370 nan 0.000 0.612 551 P HA -0.118 nan 4.420 nan 0.000 0.217 551 P C 1.287 178.495 177.300 -0.153 0.000 1.150 551 P CA 0.893 63.824 63.100 -0.283 0.000 0.832 551 P CB 0.554 31.983 31.700 -0.452 0.000 0.787 552 E N 0.137 120.291 120.200 -0.076 0.000 2.077 552 E HA -0.133 4.217 4.350 0.000 0.000 0.193 552 E C 2.196 178.797 176.600 0.002 0.000 0.989 552 E CA 1.981 58.390 56.400 0.015 0.000 0.800 552 E CB -1.430 28.298 29.700 0.046 0.000 0.746 552 E HN 0.126 nan 8.360 nan 0.000 0.452 553 G N 0.686 109.479 108.800 -0.012 0.000 2.418 553 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 553 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 553 G C 1.523 176.444 174.900 0.035 0.000 1.158 553 G CA 0.934 46.075 45.100 0.068 0.000 0.771 553 G HN 0.364 nan 8.290 nan 0.000 0.545 554 L N 1.843 123.010 121.223 -0.093 0.000 2.083 554 L HA -0.048 4.292 4.340 0.000 0.000 0.209 554 L C 3.048 179.821 176.870 -0.162 0.000 1.083 554 L CA 2.570 57.313 54.840 -0.162 0.000 0.752 554 L CB -0.625 41.280 42.059 -0.256 0.000 0.899 554 L HN 0.332 nan 8.230 nan 0.000 0.433 555 S N -1.333 114.314 115.700 -0.089 0.000 2.402 555 S HA -0.171 4.299 4.470 0.000 0.000 0.229 555 S C 1.714 176.285 174.600 -0.049 0.000 1.021 555 S CA 0.991 59.167 58.200 -0.040 0.000 0.974 555 S CB -0.610 62.635 63.200 0.075 0.000 0.800 555 S HN 0.661 nan 8.310 nan 0.000 0.484 556 E N 1.615 121.787 120.200 -0.047 0.000 2.058 556 E HA -0.090 4.260 4.350 0.000 0.000 0.194 556 E C 2.127 178.653 176.600 -0.124 0.000 0.997 556 E CA 1.502 57.865 56.400 -0.061 0.000 0.801 556 E CB -0.544 29.134 29.700 -0.038 0.000 0.746 556 E HN 0.491 nan 8.360 nan 0.000 0.450 557 L N 0.331 121.419 121.223 -0.225 0.000 2.013 557 L HA -0.238 4.102 4.340 0.000 0.000 0.212 557 L C 2.592 179.229 176.870 -0.387 0.000 1.073 557 L CA 1.309 55.868 54.840 -0.468 0.000 0.753 557 L CB -0.405 41.061 42.059 -0.987 0.000 0.890 557 L HN 0.230 nan 8.230 nan 0.000 0.432 558 M N -1.286 118.141 119.600 -0.288 0.000 2.557 558 M HA 0.017 4.497 4.480 0.000 0.000 0.259 558 M C 1.418 177.684 176.300 -0.057 0.000 1.086 558 M CA 1.134 56.361 55.300 -0.122 0.000 1.096 558 M CB 0.045 32.563 32.600 -0.137 0.000 1.424 558 M HN 0.517 nan 8.290 nan 0.000 0.488 559 G N 0.018 108.783 108.800 -0.058 0.000 2.192 559 G HA2 0.018 3.978 3.960 0.000 0.000 0.193 559 G HA3 0.018 3.978 3.960 0.000 0.000 0.193 559 G C 0.293 175.178 174.900 -0.024 0.000 0.999 559 G CA -0.408 44.673 45.100 -0.032 0.000 0.659 559 G HN 0.891 nan 8.290 nan 0.000 0.503 560 G N -1.988 106.804 108.800 -0.015 0.000 2.351 560 G HA2 0.287 4.247 3.960 0.000 0.000 0.353 560 G HA3 0.287 4.247 3.960 0.000 0.000 0.353 560 G C 0.093 175.051 174.900 0.096 0.000 1.358 560 G CA 0.358 45.460 45.100 0.003 0.000 0.995 560 G HN 0.536 nan 8.290 nan 0.000 0.611 561 H N -0.342 118.718 119.070 -0.017 0.000 2.390 561 H HA -0.126 4.430 4.556 0.000 0.000 0.298 561 H C 2.333 177.658 175.328 -0.005 0.000 1.106 561 H CA 1.764 57.798 56.048 -0.023 0.000 1.297 561 H CB 0.473 30.226 29.762 -0.015 0.000 1.375 561 H HN 0.607 nan 8.280 nan 0.000 0.509 562 E N 0.441 120.727 120.200 0.143 0.000 2.028 562 E HA -0.098 4.252 4.350 0.000 0.000 0.190 562 E C -0.664 175.976 176.600 0.066 0.000 0.984 562 E CA 0.535 56.992 56.400 0.095 0.000 0.800 562 E CB -0.335 29.410 29.700 0.075 0.000 0.758 562 E HN 0.328 nan 8.360 nan 0.000 0.448 563 P HA -0.206 nan 4.420 nan 0.000 0.215 563 P C 1.646 178.957 177.300 0.019 0.000 1.157 563 P CA 1.528 64.639 63.100 0.019 0.000 0.874 563 P CB -0.236 31.461 31.700 -0.005 0.000 0.790 564 M N -1.398 118.216 119.600 0.024 0.000 2.117 564 M HA -0.149 4.331 4.480 0.000 0.000 0.262 564 M C 1.966 178.295 176.300 0.048 0.000 1.065 564 M CA 1.847 57.169 55.300 0.036 0.000 1.114 564 M CB -0.601 32.012 32.600 0.022 0.000 1.361 564 M HN -0.195 nan 8.290 nan 0.000 0.408 565 I N 0.584 121.178 120.570 0.041 0.000 2.208 565 I HA -0.272 3.898 4.170 0.000 0.000 0.245 565 I C 2.612 178.801 176.117 0.120 0.000 1.097 565 I CA 1.393 62.745 61.300 0.088 0.000 1.363 565 I CB -0.483 37.592 38.000 0.126 0.000 1.051 565 I HN 0.430 nan 8.210 nan 0.000 0.413 566 A N 0.262 123.136 122.820 0.089 0.000 1.898 566 A HA -0.206 4.114 4.320 0.000 0.000 0.216 566 A C 2.376 180.002 177.584 0.071 0.000 1.181 566 A CA 1.465 53.553 52.037 0.085 0.000 0.620 566 A CB -0.504 18.535 19.000 0.064 0.000 0.819 566 A HN 0.274 nan 8.150 nan 0.000 0.442 567 R N -0.668 119.864 120.500 0.054 0.000 2.066 567 R HA 0.013 4.353 4.340 0.000 0.000 0.232 567 R C 2.111 178.418 176.300 0.011 0.000 1.131 567 R CA 1.284 57.412 56.100 0.046 0.000 0.955 567 R CB -0.423 29.896 30.300 0.032 0.000 0.851 567 R HN 0.526 nan 8.270 nan 0.000 0.432 568 L N 0.694 121.895 121.223 -0.036 0.000 1.990 568 L HA -0.286 4.054 4.340 0.000 0.000 0.213 568 L C 1.773 178.548 176.870 -0.157 0.000 1.072 568 L CA 1.512 56.136 54.840 -0.361 0.000 0.755 568 L CB -0.528 41.215 42.059 -0.526 0.000 0.889 568 L HN 0.277 nan 8.230 nan 0.000 0.432 569 D N -0.555 119.915 120.400 0.116 0.000 2.123 569 D HA -0.178 4.462 4.640 0.000 0.000 0.196 569 D C 2.317 178.677 176.300 0.100 0.000 0.992 569 D CA 1.710 55.843 54.000 0.221 0.000 0.833 569 D CB -0.144 40.782 40.800 0.209 0.000 0.954 569 D HN 0.365 nan 8.370 nan 0.000 0.455 570 S N -0.415 115.311 115.700 0.044 0.000 2.474 570 S HA -0.088 4.382 4.470 0.000 0.000 0.235 570 S C 1.944 176.582 174.600 0.063 0.000 0.997 570 S CA 0.484 58.741 58.200 0.095 0.000 0.949 570 S CB -0.275 63.021 63.200 0.159 0.000 0.766 570 S HN 0.190 nan 8.310 nan 0.000 0.517 571 M N 0.132 119.581 119.600 -0.251 0.000 2.319 571 M HA 0.144 4.624 4.480 0.000 0.000 0.265 571 M C -0.374 175.641 176.300 -0.476 0.000 1.068 571 M CA 0.923 55.964 55.300 -0.432 0.000 1.118 571 M CB -0.262 31.737 32.600 -1.001 0.000 1.395 571 M HN 0.314 nan 8.290 nan 0.000 0.435 572 F N 0.951 120.895 119.950 -0.009 0.000 2.344 572 F HA 0.407 4.934 4.527 0.000 0.000 0.344 572 F C 0.600 176.461 175.800 0.103 0.000 1.140 572 F CA -1.295 56.696 58.000 -0.015 0.000 1.256 572 F CB -1.055 37.754 39.000 -0.319 0.000 1.573 572 F HN -0.210 nan 8.300 nan 0.000 0.547 573 V N 1.998 122.049 119.914 0.228 0.000 2.557 573 V HA 0.460 4.580 4.120 0.000 0.000 0.301 573 V C 0.646 176.855 176.094 0.193 0.000 1.026 573 V CA -0.122 62.290 62.300 0.186 0.000 1.137 573 V CB -0.280 31.631 31.823 0.146 0.000 0.917 573 V HN 0.733 nan 8.190 nan 0.000 0.484 574 A N 5.360 128.278 122.820 0.164 0.000 2.316 574 A HA 0.758 5.079 4.320 0.000 0.000 0.284 574 A C -0.624 177.014 177.584 0.090 0.000 1.115 574 A CA -0.466 51.658 52.037 0.145 0.000 0.812 574 A CB -0.015 19.054 19.000 0.115 0.000 1.064 574 A HN 1.598 nan 8.150 nan 0.000 0.489 575 P HA 0.289 nan 4.420 nan 0.000 0.271 575 P C -0.547 176.750 177.300 -0.006 0.000 1.226 575 P CA -0.026 63.104 63.100 0.050 0.000 0.765 575 P CB 0.105 31.841 31.700 0.060 0.000 0.835 576 N N 2.005 120.671 118.700 -0.058 0.000 2.457 576 N HA 0.220 4.960 4.740 0.000 0.000 0.250 576 N C 1.019 176.386 175.510 -0.239 0.000 0.982 576 N CA 0.538 53.454 53.050 -0.224 0.000 0.941 576 N CB 1.116 39.370 38.487 -0.387 0.000 1.120 576 N HN 0.354 nan 8.380 nan 0.000 0.505 577 T N 1.031 115.510 114.554 -0.124 0.000 3.069 577 T HA 0.163 4.513 4.350 0.000 0.000 0.252 577 T C 0.537 175.417 174.700 0.300 0.000 1.053 577 T CA 0.094 62.269 62.100 0.125 0.000 0.964 577 T CB -0.241 68.708 68.868 0.136 0.000 1.005 577 T HN 0.456 nan 8.240 nan 0.000 0.532 578 Y N 1.742 122.116 120.300 0.122 0.000 2.877 578 Y HA -0.325 4.225 4.550 0.000 0.000 0.467 578 Y C 1.356 177.242 175.900 -0.022 0.000 1.184 578 Y CA 1.377 59.512 58.100 0.059 0.000 2.567 578 Y CB -1.579 36.940 38.460 0.098 0.000 1.217 578 Y HN 0.258 nan 8.280 nan 0.000 0.629 579 N N -0.550 118.166 118.700 0.027 0.000 2.230 579 N HA 0.109 4.849 4.740 0.000 0.000 0.202 579 N C 0.681 176.088 175.510 -0.172 0.000 1.119 579 N CA 0.397 53.376 53.050 -0.118 0.000 0.851 579 N CB -0.129 38.252 38.487 -0.178 0.000 0.990 579 N HN 0.472 nan 8.380 nan 0.000 0.497 580 Y N 0.337 120.702 120.300 0.109 0.000 2.516 580 Y HA 0.115 4.665 4.550 0.000 0.000 0.291 580 Y C 2.389 178.324 175.900 0.057 0.000 1.131 580 Y CA 0.317 58.463 58.100 0.076 0.000 1.281 580 Y CB -0.512 38.000 38.460 0.086 0.000 1.013 580 Y HN 0.048 nan 8.280 nan 0.000 0.554 581 G N -0.016 108.888 108.800 0.173 0.000 2.605 581 G HA2 -0.392 3.568 3.960 0.000 0.000 0.222 581 G HA3 -0.392 3.568 3.960 0.000 0.000 0.222 581 G C 1.838 176.788 174.900 0.083 0.000 1.092 581 G CA 1.675 46.840 45.100 0.109 0.000 0.730 581 G HN 0.487 nan 8.290 nan 0.000 0.588 582 T N -0.681 113.918 114.554 0.076 0.000 2.803 582 T HA -0.014 4.336 4.350 0.000 0.000 0.269 582 T C 1.997 176.735 174.700 0.062 0.000 1.052 582 T CA 2.052 64.183 62.100 0.051 0.000 1.136 582 T CB -0.599 68.286 68.868 0.028 0.000 0.864 582 T HN 0.885 nan 8.240 nan 0.000 0.467 583 Y N 0.815 121.170 120.300 0.092 0.000 2.537 583 Y HA 0.526 5.076 4.550 0.000 0.000 0.303 583 Y C 1.364 177.302 175.900 0.062 0.000 1.176 583 Y CA -0.290 57.857 58.100 0.079 0.000 1.273 583 Y CB -0.944 37.575 38.460 0.098 0.000 1.110 583 Y HN 1.068 nan 8.280 nan 0.000 0.518 584 G N -3.025 105.809 108.800 0.057 0.000 2.479 584 G HA2 0.302 4.262 3.960 0.000 0.000 0.686 584 G HA3 0.302 4.262 3.960 0.000 0.000 0.686 584 G C 0.416 175.343 174.900 0.045 0.000 1.295 584 G CA -0.404 44.722 45.100 0.044 0.000 0.922 584 G HN 1.583 nan 8.290 nan 0.000 0.582 585 F N -0.182 119.789 119.950 0.036 0.000 2.234 585 F HA 0.396 4.923 4.527 0.000 0.000 0.299 585 F C 3.427 179.248 175.800 0.035 0.000 1.087 585 F CA 3.287 61.308 58.000 0.035 0.000 1.340 585 F CB -1.094 37.922 39.000 0.027 0.000 1.031 585 F HN 1.873 nan 8.300 nan 0.000 0.500 586 V N 1.286 121.219 119.914 0.031 0.000 2.324 586 V HA -0.165 3.955 4.120 0.000 0.000 0.250 586 V C 2.853 178.966 176.094 0.031 0.000 1.060 586 V CA 4.200 66.516 62.300 0.027 0.000 1.042 586 V CB -1.762 30.074 31.823 0.022 0.000 0.650 586 V HN 1.018 nan 8.190 nan 0.000 0.450 587 I N 0.091 120.687 120.570 0.043 0.000 2.248 587 I HA -0.277 3.893 4.170 0.000 0.000 0.248 587 I C 2.658 178.807 176.117 0.053 0.000 1.107 587 I CA 4.015 65.346 61.300 0.052 0.000 1.373 587 I CB -2.261 35.795 38.000 0.093 0.000 1.055 587 I HN 0.946 nan 8.210 nan 0.000 0.418 588 H N -0.370 118.731 119.070 0.053 0.000 2.389 588 H HA 0.108 4.664 4.556 0.000 0.000 0.299 588 H C 2.407 177.760 175.328 0.043 0.000 1.081 588 H CA 3.051 59.129 56.048 0.050 0.000 1.345 588 H CB -0.988 28.801 29.762 0.046 0.000 1.393 588 H HN 0.880 nan 8.280 nan 0.000 0.520 589 E N 0.299 120.519 120.200 0.035 0.000 2.047 589 E HA 0.054 4.404 4.350 0.000 0.000 0.191 589 E C 2.681 179.298 176.600 0.027 0.000 0.987 589 E CA 2.266 58.684 56.400 0.029 0.000 0.799 589 E CB -1.340 28.373 29.700 0.022 0.000 0.752 589 E HN 1.197 nan 8.360 nan 0.000 0.449 590 I N 1.255 121.839 120.570 0.024 0.000 2.208 590 I HA 0.232 4.402 4.170 0.000 0.000 0.245 590 I C 3.012 179.145 176.117 0.027 0.000 1.097 590 I CA 2.543 63.853 61.300 0.018 0.000 1.363 590 I CB -1.596 36.408 38.000 0.006 0.000 1.051 590 I HN 0.606 nan 8.210 nan 0.000 0.413 591 A N 0.284 123.126 122.820 0.038 0.000 1.933 591 A HA -0.055 4.265 4.320 0.000 0.000 0.218 591 A C 2.374 179.989 177.584 0.052 0.000 1.175 591 A CA 2.600 54.667 52.037 0.050 0.000 0.628 591 A CB -1.137 17.898 19.000 0.058 0.000 0.814 591 A HN 1.069 nan 8.150 nan 0.000 0.444 592 E N -0.471 119.760 120.200 0.051 0.000 2.072 592 E HA -0.105 4.245 4.350 0.000 0.000 0.191 592 E C 1.955 178.585 176.600 0.051 0.000 0.985 592 E CA 1.390 57.825 56.400 0.058 0.000 0.801 592 E CB -0.710 29.023 29.700 0.054 0.000 0.750 592 E HN 0.698 nan 8.360 nan 0.000 0.452 593 M N 0.034 119.657 119.600 0.037 0.000 2.073 593 M HA -0.169 4.311 4.480 0.000 0.000 0.258 593 M C 2.572 178.892 176.300 0.033 0.000 1.070 593 M CA 1.663 56.981 55.300 0.029 0.000 1.103 593 M CB -0.436 32.175 32.600 0.018 0.000 1.321 593 M HN 0.324 nan 8.290 nan 0.000 0.405 594 V N 0.479 120.414 119.914 0.034 0.000 2.252 594 V HA -0.337 3.783 4.120 0.000 0.000 0.249 594 V C 2.612 178.733 176.094 0.045 0.000 1.056 594 V CA 2.229 64.549 62.300 0.035 0.000 1.022 594 V CB -1.220 30.626 31.823 0.039 0.000 0.641 594 V HN 0.574 nan 8.190 nan 0.000 0.445 595 A N -0.334 122.523 122.820 0.061 0.000 1.859 595 A HA -0.225 4.095 4.320 0.000 0.000 0.217 595 A C 2.202 179.835 177.584 0.081 0.000 1.198 595 A CA 2.263 54.347 52.037 0.078 0.000 0.629 595 A CB -0.710 18.350 19.000 0.100 0.000 0.830 595 A HN 0.505 nan 8.150 nan 0.000 0.446 596 L N -0.361 120.910 121.223 0.080 0.000 2.013 596 L HA -0.273 4.067 4.340 0.000 0.000 0.212 596 L C 2.402 179.303 176.870 0.052 0.000 1.073 596 L CA 1.591 56.477 54.840 0.077 0.000 0.753 596 L CB -0.841 41.254 42.059 0.060 0.000 0.890 596 L HN 0.400 nan 8.230 nan 0.000 0.432 597 N N -0.211 118.509 118.700 0.035 0.000 2.192 597 N HA -0.250 4.490 4.740 0.000 0.000 0.188 597 N C 2.057 177.578 175.510 0.017 0.000 1.013 597 N CA 2.262 55.323 53.050 0.018 0.000 0.863 597 N CB -0.321 38.173 38.487 0.011 0.000 0.990 597 N HN 0.411 nan 8.380 nan 0.000 0.430 598 M N -0.097 119.522 119.600 0.030 0.000 2.077 598 M HA 0.164 4.644 4.480 0.000 0.000 0.261 598 M C 1.723 178.045 176.300 0.038 0.000 1.070 598 M CA 1.927 57.243 55.300 0.026 0.000 1.125 598 M CB -1.658 30.964 32.600 0.038 0.000 1.339 598 M HN 0.272 nan 8.290 nan 0.000 0.409 599 G N -0.502 108.342 108.800 0.074 0.000 2.314 599 G HA2 0.013 3.973 3.960 0.000 0.000 0.292 599 G HA3 0.013 3.973 3.960 0.000 0.000 0.292 599 G C 0.648 175.630 174.900 0.136 0.000 1.059 599 G CA 1.409 46.572 45.100 0.104 0.000 0.982 599 G HN 1.877 nan 8.290 nan 0.000 0.505 600 Q N -1.142 118.754 119.800 0.160 0.000 2.135 600 Q HA 0.002 4.342 4.340 0.000 0.000 0.204 600 Q C 1.451 177.690 176.000 0.399 0.000 0.981 600 Q CA 1.784 57.721 55.803 0.224 0.000 0.856 600 Q CB -0.171 28.716 28.738 0.248 0.000 0.902 600 Q HN 1.741 nan 8.270 nan 0.000 0.425 601 Y N 0.321 120.719 120.300 0.165 0.000 2.367 601 Y HA 0.551 5.101 4.550 0.000 0.000 0.342 601 Y C 0.017 176.024 175.900 0.179 0.000 0.979 601 Y CA -1.695 56.475 58.100 0.117 0.000 1.161 601 Y CB 0.980 39.478 38.460 0.063 0.000 1.155 601 Y HN 0.217 nan 8.280 nan 0.000 0.503 602 A N 6.079 128.723 122.820 -0.292 0.000 2.650 602 A HA 0.183 4.503 4.320 0.000 0.000 0.320 602 A C -0.817 176.368 177.584 -0.666 0.000 1.466 602 A CA -0.501 51.366 52.037 -0.284 0.000 1.099 602 A CB -1.110 17.884 19.000 -0.010 0.000 1.136 602 A HN 0.915 nan 8.150 nan 0.000 0.532 603 H N 1.460 120.040 119.070 -0.817 0.000 3.046 603 H HA 0.348 4.904 4.556 0.000 0.000 0.303 603 H C 1.428 176.511 175.328 -0.408 0.000 1.002 603 H CA 1.630 57.266 56.048 -0.687 0.000 1.460 603 H CB 0.385 29.963 29.762 -0.308 0.000 1.493 603 H HN 1.094 nan 8.280 nan 0.000 0.559 604 G N 3.592 111.896 108.800 -0.826 0.000 2.238 604 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 604 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 604 G C 0.397 175.092 174.900 -0.341 0.000 0.996 604 G CA -0.015 44.762 45.100 -0.537 0.000 0.632 604 G HN 0.846 nan 8.290 nan 0.000 0.503 605 N N 0.782 119.275 118.700 -0.345 0.000 2.431 605 N HA 0.445 5.185 4.740 0.000 0.000 0.265 605 N C 1.519 176.848 175.510 -0.302 0.000 1.184 605 N CA 0.196 53.072 53.050 -0.290 0.000 0.943 605 N CB 0.561 38.820 38.487 -0.381 0.000 1.080 605 N HN 0.320 nan 8.380 nan 0.000 0.477 606 Q N 3.750 123.379 119.800 -0.285 0.000 2.077 606 Q HA -0.107 4.233 4.340 0.000 0.000 0.206 606 Q C -0.891 174.912 176.000 -0.329 0.000 0.989 606 Q CA 1.896 57.465 55.803 -0.390 0.000 0.853 606 Q CB -0.624 27.678 28.738 -0.726 0.000 0.907 606 Q HN 0.672 nan 8.270 nan 0.000 0.418 607 P HA -0.128 nan 4.420 nan 0.000 0.221 607 P C 0.567 177.862 177.300 -0.008 0.000 1.145 607 P CA 1.274 64.145 63.100 -0.380 0.000 0.795 607 P CB 0.102 31.121 31.700 -1.135 0.000 0.775 608 V N -5.513 114.356 119.914 -0.076 0.000 3.528 608 V HA 0.204 4.324 4.120 0.000 0.000 0.294 608 V C 1.885 177.960 176.094 -0.031 0.000 1.404 608 V CA 0.074 62.341 62.300 -0.056 0.000 1.065 608 V CB -0.803 31.020 31.823 0.001 0.000 0.904 608 V HN -0.082 nan 8.190 nan 0.000 0.435 609 Q N 1.553 121.343 119.800 -0.017 0.000 2.173 609 Q HA -0.235 4.105 4.340 0.000 0.000 0.208 609 Q C 2.125 178.223 176.000 0.163 0.000 0.989 609 Q CA 2.420 58.221 55.803 -0.003 0.000 0.872 609 Q CB -0.248 28.474 28.738 -0.028 0.000 0.909 609 Q HN 1.033 nan 8.270 nan 0.000 0.420 610 H N -2.447 116.688 119.070 0.109 0.000 2.553 610 H HA 0.326 4.882 4.556 0.000 0.000 0.265 610 H C 1.593 177.015 175.328 0.157 0.000 0.964 610 H CA 0.665 56.793 56.048 0.134 0.000 1.156 610 H CB -0.001 29.856 29.762 0.159 0.000 1.411 610 H HN 0.189 nan 8.280 nan 0.000 0.558 611 A N 2.151 124.618 122.820 -0.588 0.000 1.940 611 A HA -0.070 4.250 4.320 0.000 0.000 0.219 611 A C 2.474 179.844 177.584 -0.357 0.000 1.176 611 A CA 1.240 52.884 52.037 -0.655 0.000 0.631 611 A CB -0.830 17.730 19.000 -0.733 0.000 0.814 611 A HN 0.389 nan 8.150 nan 0.000 0.446 612 I N -1.940 118.521 120.570 -0.182 0.000 2.567 612 I HA -0.260 3.910 4.170 0.000 0.000 0.257 612 I C 1.778 177.789 176.117 -0.175 0.000 1.184 612 I CA 1.175 62.336 61.300 -0.231 0.000 1.451 612 I CB -0.308 37.493 38.000 -0.332 0.000 1.089 612 I HN 0.414 nan 8.210 nan 0.000 0.441 613 Y N 0.166 120.446 120.300 -0.034 0.000 2.544 613 Y HA 0.046 4.596 4.550 0.000 0.000 0.286 613 Y C 2.136 178.120 175.900 0.141 0.000 1.141 613 Y CA 0.302 58.461 58.100 0.099 0.000 1.299 613 Y CB -0.155 38.412 38.460 0.178 0.000 1.030 613 Y HN 0.086 nan 8.280 nan 0.000 0.543 614 L N -1.418 119.818 121.223 0.022 0.000 2.265 614 L HA -0.235 4.105 4.340 0.000 0.000 0.215 614 L C 1.536 178.362 176.870 -0.073 0.000 1.117 614 L CA 1.093 55.871 54.840 -0.102 0.000 0.782 614 L CB -0.641 41.221 42.059 -0.329 0.000 0.914 614 L HN 0.284 nan 8.230 nan 0.000 0.441 615 Y N 0.020 120.290 120.300 -0.049 0.000 2.333 615 Y HA -0.251 4.299 4.550 0.000 0.000 0.290 615 Y C 2.300 178.115 175.900 -0.141 0.000 1.144 615 Y CA 1.032 59.040 58.100 -0.153 0.000 1.228 615 Y CB -0.523 37.804 38.460 -0.220 0.000 0.985 615 Y HN 0.216 nan 8.280 nan 0.000 0.542 616 D N -1.287 119.213 120.400 0.167 0.000 2.218 616 D HA -0.184 4.456 4.640 0.000 0.000 0.204 616 D C 1.476 177.697 176.300 -0.132 0.000 0.976 616 D CA 1.368 55.417 54.000 0.080 0.000 0.853 616 D CB -0.310 40.577 40.800 0.144 0.000 0.939 616 D HN 0.456 nan 8.370 nan 0.000 0.481 617 Y N -0.069 120.071 120.300 -0.268 0.000 2.503 617 Y HA 0.147 4.697 4.550 0.000 0.000 0.278 617 Y C 1.905 177.113 175.900 -1.153 0.000 1.111 617 Y CA 0.149 57.959 58.100 -0.484 0.000 1.270 617 Y CB 0.309 38.608 38.460 -0.269 0.000 1.063 617 Y HN -0.022 nan 8.280 nan 0.000 0.548 618 I N -4.010 116.057 120.570 -0.839 0.000 3.833 618 I HA 0.617 4.787 4.170 0.000 0.000 0.328 618 I C 1.012 176.736 176.117 -0.656 0.000 1.554 618 I CA 0.302 60.933 61.300 -1.114 0.000 1.116 618 I CB 0.447 37.994 38.000 -0.755 0.000 1.182 618 I HN 0.129 nan 8.210 nan 0.000 0.459 619 G N 1.730 110.200 108.800 -0.551 0.000 2.159 619 G HA2 -0.225 3.735 3.960 0.000 0.000 0.227 619 G HA3 -0.225 3.735 3.960 0.000 0.000 0.227 619 G C 0.079 174.909 174.900 -0.115 0.000 0.986 619 G CA -0.062 45.043 45.100 0.008 0.000 0.651 619 G HN 0.586 nan 8.290 nan 0.000 0.523 620 Q N -0.313 119.265 119.800 -0.368 0.000 3.180 620 Q HA 0.203 4.543 4.340 0.000 0.000 0.317 620 Q C -1.957 173.501 176.000 -0.903 0.000 0.824 620 Q CA -1.390 53.758 55.803 -1.090 0.000 0.926 620 Q CB 2.034 30.148 28.738 -1.041 0.000 1.487 620 Q HN 0.315 nan 8.270 nan 0.000 0.389 621 P HA -0.169 nan 4.420 nan 0.000 0.222 621 P C 0.900 178.167 177.300 -0.055 0.000 1.147 621 P CA 0.912 63.953 63.100 -0.099 0.000 0.790 621 P CB -0.144 31.614 31.700 0.096 0.000 0.780 622 W N 1.385 122.711 121.300 0.042 0.000 2.392 622 W HA 0.005 4.665 4.660 0.000 0.000 0.279 622 W C 1.741 178.293 176.519 0.055 0.000 1.225 622 W CA 0.866 58.272 57.345 0.101 0.000 1.233 622 W CB -1.498 27.958 29.460 -0.008 0.000 1.122 622 W HN -0.142 nan 8.180 nan 0.000 0.561 623 K N 0.338 120.394 120.400 -0.574 0.000 2.062 623 K HA -0.082 4.238 4.320 0.000 0.000 0.205 623 K C 2.079 178.467 176.600 -0.353 0.000 1.051 623 K CA 1.999 57.923 56.287 -0.605 0.000 0.941 623 K CB -0.623 31.035 32.500 -1.403 0.000 0.719 623 K HN 0.089 nan 8.250 nan 0.000 0.440 624 T N 1.687 116.096 114.554 -0.242 0.000 2.720 624 T HA -0.192 4.158 4.350 0.000 0.000 0.268 624 T C 1.838 176.437 174.700 -0.168 0.000 1.037 624 T CA 1.429 63.463 62.100 -0.110 0.000 1.144 624 T CB -0.151 68.682 68.868 -0.058 0.000 0.864 624 T HN 0.295 nan 8.240 nan 0.000 0.444 625 Q N -0.527 119.225 119.800 -0.080 0.000 2.050 625 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 625 Q C 2.073 177.949 176.000 -0.207 0.000 0.980 625 Q CA 1.769 57.519 55.803 -0.088 0.000 0.840 625 Q CB -0.330 28.445 28.738 0.062 0.000 0.898 625 Q HN 0.664 nan 8.270 nan 0.000 0.424 626 Y N 0.484 120.600 120.300 -0.308 0.000 2.133 626 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 626 Y C 2.230 177.873 175.900 -0.427 0.000 1.134 626 Y CA 1.761 59.599 58.100 -0.438 0.000 1.133 626 Y CB -0.156 38.081 38.460 -0.372 0.000 0.987 626 Y HN 0.191 nan 8.280 nan 0.000 0.502 627 H N -0.429 118.441 119.070 -0.334 0.000 2.389 627 H HA -0.153 4.403 4.556 0.000 0.000 0.299 627 H C 2.481 177.535 175.328 -0.456 0.000 1.081 627 H CA 1.450 57.193 56.048 -0.510 0.000 1.345 627 H CB -0.374 28.968 29.762 -0.701 0.000 1.393 627 H HN 0.339 nan 8.280 nan 0.000 0.520 628 L N 1.018 122.080 121.223 -0.268 0.000 1.989 628 L HA -0.187 4.153 4.340 0.000 0.000 0.211 628 L C 2.412 179.165 176.870 -0.195 0.000 1.071 628 L CA 1.545 56.260 54.840 -0.208 0.000 0.749 628 L CB -0.321 41.551 42.059 -0.311 0.000 0.890 628 L HN 0.197 nan 8.230 nan 0.000 0.431 629 R N -0.354 119.968 120.500 -0.296 0.000 2.092 629 R HA -0.151 4.189 4.340 0.000 0.000 0.231 629 R C 1.893 178.027 176.300 -0.277 0.000 1.119 629 R CA 1.064 56.990 56.100 -0.290 0.000 0.970 629 R CB -1.099 28.999 30.300 -0.335 0.000 0.864 629 R HN 0.421 nan 8.270 nan 0.000 0.440 630 N N 0.740 119.196 118.700 -0.408 0.000 2.069 630 N HA -0.130 4.611 4.740 0.000 0.000 0.191 630 N C 1.752 177.172 175.510 -0.150 0.000 1.031 630 N CA 1.219 54.058 53.050 -0.352 0.000 0.852 630 N CB -0.174 37.991 38.487 -0.537 0.000 1.018 630 N HN -0.059 nan 8.380 nan 0.000 0.423 631 V N 1.066 120.920 119.914 -0.101 0.000 2.343 631 V HA -0.229 3.891 4.120 0.000 0.000 0.247 631 V C 2.378 178.572 176.094 0.167 0.000 1.051 631 V CA 1.325 63.618 62.300 -0.011 0.000 1.036 631 V CB -0.454 31.337 31.823 -0.054 0.000 0.654 631 V HN 0.341 nan 8.190 nan 0.000 0.451 632 M N -0.261 119.453 119.600 0.191 0.000 2.080 632 M HA -0.199 4.281 4.480 0.000 0.000 0.260 632 M C 1.948 178.397 176.300 0.249 0.000 1.068 632 M CA 1.840 57.298 55.300 0.264 0.000 1.109 632 M CB -1.349 31.223 32.600 -0.045 0.000 1.342 632 M HN 0.338 nan 8.290 nan 0.000 0.405 633 D N 0.278 120.721 120.400 0.072 0.000 2.183 633 D HA -0.065 4.575 4.640 0.000 0.000 0.203 633 D C 1.922 178.254 176.300 0.054 0.000 0.969 633 D CA 1.139 55.160 54.000 0.035 0.000 0.842 633 D CB 0.005 40.777 40.800 -0.046 0.000 0.957 633 D HN 0.401 nan 8.370 nan 0.000 0.484 634 K N -0.655 119.775 120.400 0.049 0.000 2.370 634 K HA 0.271 4.591 4.320 0.000 0.000 0.194 634 K C 1.413 178.016 176.600 0.005 0.000 1.070 634 K CA 0.087 56.386 56.287 0.019 0.000 0.998 634 K CB 0.908 33.406 32.500 -0.003 0.000 0.911 634 K HN 0.028 nan 8.250 nan 0.000 0.533 635 L N 0.280 121.503 121.223 0.001 0.000 2.808 635 L HA 0.281 4.621 4.340 0.000 0.000 0.246 635 L C -0.556 176.108 176.870 -0.343 0.000 1.153 635 L CA -0.195 54.548 54.840 -0.161 0.000 0.956 635 L CB 0.312 42.217 42.059 -0.256 0.000 1.270 635 L HN 0.026 nan 8.230 nan 0.000 0.528 636 Y N 0.857 121.161 120.300 0.008 0.000 2.499 636 Y HA 0.471 5.021 4.550 0.000 0.000 0.347 636 Y C 0.121 175.957 175.900 -0.106 0.000 0.987 636 Y CA -1.096 56.956 58.100 -0.081 0.000 1.044 636 Y CB 1.829 40.245 38.460 -0.072 0.000 1.245 636 Y HN 0.042 nan 8.280 nan 0.000 0.461 637 N N -1.752 116.935 118.700 -0.021 0.000 3.179 637 N HA 0.178 4.918 4.740 0.000 0.000 0.250 637 N C -0.717 174.723 175.510 -0.116 0.000 1.507 637 N CA -0.534 52.489 53.050 -0.044 0.000 0.883 637 N CB 1.431 39.899 38.487 -0.031 0.000 1.435 637 N HN 0.465 nan 8.380 nan 0.000 0.532 638 S N -1.549 114.105 115.700 -0.076 0.000 2.556 638 S HA 0.260 4.730 4.470 0.000 0.000 0.216 638 S C 0.934 175.482 174.600 -0.087 0.000 0.970 638 S CA 0.068 58.220 58.200 -0.081 0.000 0.912 638 S CB -0.439 62.754 63.200 -0.013 0.000 0.790 638 S HN 0.748 nan 8.310 nan 0.000 0.504 639 G N 1.521 110.263 108.800 -0.098 0.000 2.588 639 G HA2 0.376 4.336 3.960 0.000 0.000 0.278 639 G HA3 0.376 4.336 3.960 0.000 0.000 0.278 639 G C 0.944 175.745 174.900 -0.166 0.000 1.307 639 G CA -0.039 44.986 45.100 -0.125 0.000 1.016 639 G HN 0.454 nan 8.290 nan 0.000 0.503 640 S N -1.169 114.366 115.700 -0.275 0.000 2.442 640 S HA -0.073 4.397 4.470 0.000 0.000 0.236 640 S C 1.474 175.971 174.600 -0.172 0.000 1.007 640 S CA 1.166 59.163 58.200 -0.339 0.000 0.965 640 S CB -0.050 62.617 63.200 -0.887 0.000 0.773 640 S HN 0.504 nan 8.310 nan 0.000 0.504 641 K N 1.130 121.446 120.400 -0.141 0.000 2.577 641 K HA 0.275 4.595 4.320 0.000 0.000 0.210 641 K C 1.769 178.338 176.600 -0.052 0.000 1.048 641 K CA 0.154 56.404 56.287 -0.063 0.000 1.188 641 K CB -0.127 32.336 32.500 -0.061 0.000 0.910 641 K HN 0.450 nan 8.250 nan 0.000 0.483 642 G N 0.634 109.380 108.800 -0.090 0.000 2.503 642 G HA2 -0.254 3.706 3.960 0.000 0.000 0.221 642 G HA3 -0.254 3.706 3.960 0.000 0.000 0.221 642 G C 0.238 174.978 174.900 -0.267 0.000 1.131 642 G CA 0.806 45.782 45.100 -0.206 0.000 0.756 642 G HN 0.307 nan 8.290 nan 0.000 0.572 643 Y N 0.321 120.585 120.300 -0.060 0.000 2.595 643 Y HA 0.330 4.880 4.550 0.000 0.000 0.347 643 Y C 1.264 177.075 175.900 -0.148 0.000 1.025 643 Y CA -1.120 56.895 58.100 -0.142 0.000 1.295 643 Y CB 0.526 38.941 38.460 -0.075 0.000 1.147 643 Y HN 0.026 nan 8.280 nan 0.000 0.515 644 C N 0.986 120.229 119.300 -0.095 0.000 2.514 644 C HA 0.112 4.572 4.460 0.000 0.000 0.271 644 C C 1.817 176.775 174.990 -0.054 0.000 1.399 644 C CA -0.168 58.811 59.018 -0.065 0.000 1.765 644 C CB -1.099 26.596 27.740 -0.076 0.000 1.893 644 C HN 1.065 nan 8.230 nan 0.000 0.531 645 G N 1.096 109.852 108.800 -0.074 0.000 2.305 645 G HA2 0.124 4.084 3.960 0.000 0.000 0.243 645 G HA3 0.124 4.084 3.960 0.000 0.000 0.243 645 G C 0.322 175.205 174.900 -0.028 0.000 1.288 645 G CA 0.033 45.108 45.100 -0.041 0.000 0.901 645 G HN 0.332 nan 8.290 nan 0.000 0.516 646 D N 1.645 122.032 120.400 -0.022 0.000 2.182 646 D HA -0.093 4.547 4.640 0.000 0.000 0.201 646 D C 1.867 178.153 176.300 -0.024 0.000 0.986 646 D CA 1.208 55.196 54.000 -0.020 0.000 0.847 646 D CB 0.320 41.110 40.800 -0.017 0.000 0.942 646 D HN 0.710 nan 8.370 nan 0.000 0.467 647 E N 0.007 120.187 120.200 -0.034 0.000 2.444 647 E HA 0.018 4.368 4.350 0.000 0.000 0.191 647 E C -0.336 176.221 176.600 -0.071 0.000 1.041 647 E CA -0.144 56.234 56.400 -0.037 0.000 0.883 647 E CB 0.485 30.162 29.700 -0.038 0.000 1.024 647 E HN 0.029 nan 8.360 nan 0.000 0.470 648 D N 0.456 120.814 120.400 -0.070 0.000 2.441 648 D HA 0.140 4.780 4.640 0.000 0.000 0.231 648 D C -0.387 175.861 176.300 -0.086 0.000 1.073 648 D CA -0.413 53.528 54.000 -0.099 0.000 0.850 648 D CB 0.540 41.296 40.800 -0.073 0.000 1.062 648 D HN -0.101 nan 8.370 nan 0.000 0.524 649 N N 1.832 120.448 118.700 -0.140 0.000 2.238 649 N HA 0.349 5.089 4.740 0.000 0.000 0.222 649 N C 0.967 176.249 175.510 -0.379 0.000 1.133 649 N CA -0.035 52.926 53.050 -0.148 0.000 0.854 649 N CB 1.382 39.849 38.487 -0.034 0.000 1.041 649 N HN 0.524 nan 8.380 nan 0.000 0.510 650 G N 1.157 109.486 108.800 -0.785 0.000 2.284 650 G HA2 -0.287 3.673 3.960 0.000 0.000 0.201 650 G HA3 -0.287 3.673 3.960 0.000 0.000 0.201 650 G C 0.985 175.578 174.900 -0.512 0.000 0.998 650 G CA 0.098 44.448 45.100 -1.250 0.000 0.651 650 G HN 0.377 nan 8.290 nan 0.000 0.489 651 Q N 1.657 121.300 119.800 -0.263 0.000 2.541 651 Q HA -0.019 4.321 4.340 0.000 0.000 0.215 651 Q C 1.562 177.544 176.000 -0.031 0.000 0.977 651 Q CA 2.044 57.789 55.803 -0.098 0.000 0.934 651 Q CB -0.689 28.015 28.738 -0.057 0.000 0.988 651 Q HN 0.924 nan 8.270 nan 0.000 0.521 652 T N -2.437 112.122 114.554 0.008 0.000 3.163 652 T HA 0.144 4.494 4.350 0.000 0.000 0.252 652 T C 1.554 176.549 174.700 0.491 0.000 1.056 652 T CA 0.304 62.539 62.100 0.225 0.000 0.947 652 T CB 0.113 69.109 68.868 0.213 0.000 1.016 652 T HN 0.328 nan 8.240 nan 0.000 0.554 653 S N 1.685 117.612 115.700 0.379 0.000 2.402 653 S HA 0.055 4.525 4.470 0.000 0.000 0.229 653 S C 2.377 177.170 174.600 0.323 0.000 1.021 653 S CA 0.616 59.065 58.200 0.414 0.000 0.974 653 S CB -0.778 62.625 63.200 0.338 0.000 0.800 653 S HN 0.673 nan 8.310 nan 0.000 0.484 654 A N 0.808 123.792 122.820 0.272 0.000 1.930 654 A HA 0.013 4.333 4.320 0.000 0.000 0.217 654 A C 1.843 179.683 177.584 0.427 0.000 1.175 654 A CA 1.085 53.268 52.037 0.242 0.000 0.627 654 A CB -1.282 17.817 19.000 0.165 0.000 0.815 654 A HN 0.782 nan 8.150 nan 0.000 0.443 655 W N -0.819 120.690 121.300 0.348 0.000 2.358 655 W HA -0.244 4.416 4.660 0.000 0.000 0.303 655 W C 1.981 178.727 176.519 0.379 0.000 1.208 655 W CA 1.943 59.572 57.345 0.473 0.000 1.274 655 W CB -0.343 29.341 29.460 0.374 0.000 1.138 655 W HN 0.455 nan 8.180 nan 0.000 0.515 656 Y N 0.185 120.789 120.300 0.507 0.000 2.200 656 Y HA -0.243 4.307 4.550 0.000 0.000 0.290 656 Y C 2.325 178.208 175.900 -0.028 0.000 1.137 656 Y CA 2.606 60.781 58.100 0.126 0.000 1.163 656 Y CB -0.788 37.601 38.460 -0.119 0.000 0.988 656 Y HN -0.177 nan 8.280 nan 0.000 0.518 657 V N -0.278 119.717 119.914 0.134 0.000 2.255 657 V HA -0.324 3.796 4.120 0.000 0.000 0.247 657 V C 2.124 178.159 176.094 -0.098 0.000 1.051 657 V CA 2.176 64.418 62.300 -0.096 0.000 1.018 657 V CB -0.906 30.745 31.823 -0.287 0.000 0.641 657 V HN 0.346 nan 8.190 nan 0.000 0.445 658 F N 0.777 120.649 119.950 -0.130 0.000 2.102 658 F HA -0.162 4.365 4.527 0.000 0.000 0.298 658 F C 2.721 178.296 175.800 -0.375 0.000 1.105 658 F CA 1.951 59.787 58.000 -0.274 0.000 1.239 658 F CB -0.691 38.217 39.000 -0.155 0.000 0.991 658 F HN 0.043 nan 8.300 nan 0.000 0.474 659 S N -0.345 115.217 115.700 -0.230 0.000 2.402 659 S HA -0.130 4.340 4.470 0.000 0.000 0.229 659 S C 2.295 176.668 174.600 -0.378 0.000 1.021 659 S CA 0.882 58.837 58.200 -0.409 0.000 0.974 659 S CB -0.622 61.988 63.200 -0.983 0.000 0.800 659 S HN 0.365 nan 8.310 nan 0.000 0.484 660 A N 1.477 124.051 122.820 -0.409 0.000 1.930 660 A HA 0.022 4.342 4.320 0.000 0.000 0.217 660 A C 2.075 179.549 177.584 -0.184 0.000 1.175 660 A CA 1.140 52.966 52.037 -0.352 0.000 0.627 660 A CB -0.539 18.307 19.000 -0.256 0.000 0.815 660 A HN 0.465 nan 8.150 nan 0.000 0.443 661 M N -1.825 117.674 119.600 -0.169 0.000 2.374 661 M HA 0.039 4.519 4.480 0.000 0.000 0.264 661 M C 1.532 177.717 176.300 -0.191 0.000 1.067 661 M CA 1.279 56.449 55.300 -0.217 0.000 1.103 661 M CB -0.017 32.317 32.600 -0.443 0.000 1.402 661 M HN 0.680 nan 8.290 nan 0.000 0.444 662 G N 0.779 109.459 108.800 -0.201 0.000 2.192 662 G HA2 -0.181 3.779 3.960 0.000 0.000 0.193 662 G HA3 -0.181 3.779 3.960 0.000 0.000 0.193 662 G C -0.197 174.856 174.900 0.256 0.000 0.999 662 G CA -0.184 44.947 45.100 0.051 0.000 0.659 662 G HN 0.506 nan 8.290 nan 0.000 0.503 663 F N -2.034 118.031 119.950 0.192 0.000 2.741 663 F HA 0.821 5.348 4.527 0.000 0.000 0.311 663 F C -1.231 174.667 175.800 0.163 0.000 1.149 663 F CA -2.560 55.570 58.000 0.216 0.000 0.930 663 F CB 1.031 40.130 39.000 0.165 0.000 1.312 663 F HN 0.260 nan 8.300 nan 0.000 0.450 664 Y N 1.773 122.060 120.300 -0.022 0.000 2.479 664 Y HA 0.602 5.152 4.550 0.000 0.000 0.338 664 Y C -2.921 172.737 175.900 -0.404 0.000 1.055 664 Y CA -2.419 55.354 58.100 -0.544 0.000 1.023 664 Y CB 3.237 40.941 38.460 -1.260 0.000 1.287 664 Y HN 0.461 nan 8.280 nan 0.000 0.447 665 P HA 0.094 nan 4.420 nan 0.000 0.247 665 P C 0.427 177.389 177.300 -0.565 0.000 1.756 665 P CA 0.251 62.908 63.100 -0.738 0.000 1.117 665 P CB 0.877 32.091 31.700 -0.810 0.000 1.869 666 V N 1.745 121.559 119.914 -0.167 0.000 2.287 666 V HA -0.196 3.924 4.120 0.000 0.000 0.248 666 V C 1.418 177.439 176.094 -0.122 0.000 1.053 666 V CA 1.812 64.124 62.300 0.020 0.000 1.027 666 V CB -0.271 31.679 31.823 0.212 0.000 0.646 666 V HN 0.550 nan 8.190 nan 0.000 0.447 667 C N 1.939 121.209 119.300 -0.050 0.000 2.647 667 C HA 0.510 4.970 4.460 0.000 0.000 0.273 667 C C -2.592 172.456 174.990 0.096 0.000 1.088 667 C CA -2.266 56.779 59.018 0.044 0.000 1.529 667 C CB -0.352 27.461 27.740 0.121 0.000 1.810 667 C HN 0.299 nan 8.230 nan 0.000 0.422 668 P HA 0.285 nan 4.420 nan 0.000 0.265 668 P C 0.919 178.419 177.300 0.334 0.000 1.187 668 P CA 1.998 65.187 63.100 0.149 0.000 0.766 668 P CB 0.507 32.339 31.700 0.220 0.000 0.820 669 G N 1.365 110.287 108.800 0.204 0.000 2.254 669 G HA2 -0.243 3.717 3.960 0.000 0.000 0.225 669 G HA3 -0.243 3.717 3.960 0.000 0.000 0.225 669 G C -0.039 174.993 174.900 0.221 0.000 1.003 669 G CA 0.151 45.378 45.100 0.213 0.000 0.622 669 G HN 0.581 nan 8.290 nan 0.000 0.507 670 M N 2.820 122.573 119.600 0.256 0.000 2.114 670 M HA 0.628 5.108 4.480 0.000 0.000 0.332 670 M C -2.484 173.804 176.300 -0.021 0.000 1.014 670 M CA -2.937 52.430 55.300 0.112 0.000 0.956 670 M CB 1.710 34.366 32.600 0.093 0.000 1.551 670 M HN -0.073 nan 8.290 nan 0.000 0.427 671 P HA 0.209 nan 4.420 nan 0.000 0.230 671 P C -1.302 175.981 177.300 -0.029 0.000 1.791 671 P CA 0.276 63.337 63.100 -0.064 0.000 1.020 671 P CB -0.364 31.338 31.700 0.004 0.000 1.977 672 E N 0.854 120.944 120.200 -0.183 0.000 2.393 672 E HA 0.491 4.841 4.350 0.000 0.000 0.273 672 E C -1.213 175.174 176.600 -0.356 0.000 0.918 672 E CA -0.738 55.635 56.400 -0.046 0.000 0.773 672 E CB 1.762 31.490 29.700 0.047 0.000 1.275 672 E HN 0.168 nan 8.360 nan 0.000 0.451 673 Y N 0.017 120.394 120.300 0.128 0.000 2.346 673 Y HA 0.492 5.043 4.550 0.000 0.000 0.332 673 Y C -0.051 175.967 175.900 0.197 0.000 0.985 673 Y CA -1.086 57.072 58.100 0.097 0.000 1.112 673 Y CB 1.921 40.434 38.460 0.089 0.000 1.170 673 Y HN 0.545 nan 8.280 nan 0.000 0.447 674 A N 4.400 127.396 122.820 0.294 0.000 2.440 674 A HA 0.474 4.794 4.320 0.000 0.000 0.251 674 A C -0.150 177.697 177.584 0.439 0.000 1.089 674 A CA -0.299 51.945 52.037 0.346 0.000 0.779 674 A CB -0.015 19.211 19.000 0.376 0.000 1.022 674 A HN 0.800 nan 8.150 nan 0.000 0.492 675 I N 2.752 123.585 120.570 0.439 0.000 2.441 675 I HA 0.337 4.507 4.170 0.000 0.000 0.287 675 I C 1.266 177.642 176.117 0.432 0.000 1.049 675 I CA 0.306 61.870 61.300 0.440 0.000 1.381 675 I CB 1.423 39.639 38.000 0.360 0.000 1.409 675 I HN 0.815 nan 8.210 nan 0.000 0.523 676 G N 3.460 112.502 108.800 0.403 0.000 3.157 676 G HA2 0.358 4.318 3.960 0.000 0.000 0.206 676 G HA3 0.358 4.318 3.960 0.000 0.000 0.206 676 G C -0.561 174.389 174.900 0.082 0.000 1.903 676 G CA -0.049 45.164 45.100 0.188 0.000 0.771 676 G HN 0.498 nan 8.290 nan 0.000 0.750 677 S N 1.160 116.860 115.700 0.001 0.000 2.626 677 S HA 0.566 5.036 4.470 0.000 0.000 0.275 677 S C -3.108 171.438 174.600 -0.090 0.000 1.175 677 S CA -0.897 57.282 58.200 -0.036 0.000 0.982 677 S CB 2.208 65.346 63.200 -0.104 0.000 1.093 677 S HN 0.278 nan 8.310 nan 0.000 0.472 678 P HA 0.217 nan 4.420 nan 0.000 0.274 678 P C 0.556 177.734 177.300 -0.204 0.000 1.231 678 P CA -0.556 62.483 63.100 -0.102 0.000 0.790 678 P CB 0.824 32.515 31.700 -0.016 0.000 0.951 679 L N 1.459 122.478 121.223 -0.341 0.000 2.209 679 L HA 0.236 4.576 4.340 0.000 0.000 0.207 679 L C 0.573 177.085 176.870 -0.596 0.000 1.094 679 L CA 1.343 55.839 54.840 -0.575 0.000 0.790 679 L CB -0.556 40.954 42.059 -0.915 0.000 0.932 679 L HN 0.187 nan 8.230 nan 0.000 0.447 680 F N -0.836 119.004 119.950 -0.183 0.000 2.497 680 F HA 0.341 4.868 4.527 0.000 0.000 0.331 680 F C 1.613 177.349 175.800 -0.107 0.000 1.060 680 F CA -0.685 57.220 58.000 -0.159 0.000 0.989 680 F CB 0.674 39.539 39.000 -0.225 0.000 1.245 680 F HN -0.341 nan 8.300 nan 0.000 0.486 681 K N 0.099 120.578 120.400 0.133 0.000 2.283 681 K HA -0.064 4.256 4.320 0.000 0.000 0.202 681 K C 0.090 176.718 176.600 0.047 0.000 1.048 681 K CA 1.188 57.510 56.287 0.059 0.000 0.948 681 K CB 0.160 32.686 32.500 0.044 0.000 0.742 681 K HN 0.401 nan 8.250 nan 0.000 0.458 682 K N 0.399 120.833 120.400 0.056 0.000 2.570 682 K HA 0.176 4.496 4.320 0.000 0.000 0.256 682 K C -1.791 174.776 176.600 -0.054 0.000 0.939 682 K CA -0.604 55.684 56.287 0.002 0.000 0.833 682 K CB 1.920 34.411 32.500 -0.015 0.000 1.318 682 K HN -0.116 nan 8.250 nan 0.000 0.433 683 V N -0.431 119.455 119.914 -0.046 0.000 2.789 683 V HA 0.692 4.812 4.120 0.000 0.000 0.311 683 V C -0.801 175.262 176.094 -0.052 0.000 1.073 683 V CA -0.626 61.617 62.300 -0.095 0.000 0.921 683 V CB 1.756 33.519 31.823 -0.101 0.000 1.009 683 V HN 0.720 nan 8.190 nan 0.000 0.426 684 T N 5.504 120.006 114.554 -0.086 0.000 2.809 684 T HA 0.688 5.038 4.350 0.000 0.000 0.284 684 T C -0.689 173.887 174.700 -0.207 0.000 0.992 684 T CA -0.225 61.783 62.100 -0.153 0.000 0.957 684 T CB 1.158 69.901 68.868 -0.208 0.000 0.942 684 T HN 0.526 nan 8.240 nan 0.000 0.439 685 L N 4.702 125.841 121.223 -0.141 0.000 2.264 685 L HA 0.320 4.660 4.340 0.000 0.000 0.289 685 L C 0.465 177.210 176.870 -0.210 0.000 1.044 685 L CA -0.372 54.403 54.840 -0.108 0.000 0.807 685 L CB 0.315 42.382 42.059 0.013 0.000 1.192 685 L HN 0.594 nan 8.230 nan 0.000 0.425 686 H N 5.522 124.598 119.070 0.010 0.000 2.761 686 H HA 0.405 4.961 4.556 0.000 0.000 0.284 686 H C -0.247 175.067 175.328 -0.023 0.000 1.105 686 H CA -0.251 55.799 56.048 0.003 0.000 1.352 686 H CB 0.711 30.479 29.762 0.010 0.000 1.423 686 H HN 0.446 nan 8.280 nan 0.000 0.464 687 L N 4.447 125.708 121.223 0.063 0.000 2.335 687 L HA 0.425 4.765 4.340 0.000 0.000 0.268 687 L C -1.904 174.987 176.870 0.036 0.000 1.016 687 L CA -2.247 52.606 54.840 0.022 0.000 0.805 687 L CB 0.451 42.505 42.059 -0.009 0.000 1.311 687 L HN 0.349 nan 8.230 nan 0.000 0.456 688 P HA 0.016 nan 4.420 nan 0.000 0.270 688 P C -0.539 176.778 177.300 0.028 0.000 1.227 688 P CA 0.016 63.133 63.100 0.030 0.000 0.788 688 P CB 0.237 31.957 31.700 0.033 0.000 0.926 689 E N -0.061 120.154 120.200 0.026 0.000 2.791 689 E HA -0.255 4.095 4.350 0.000 0.000 0.271 689 E C 0.808 177.422 176.600 0.025 0.000 1.044 689 E CA 0.558 56.972 56.400 0.022 0.000 0.814 689 E CB -2.264 27.447 29.700 0.019 0.000 1.400 689 E HN 0.953 nan 8.360 nan 0.000 0.423 690 G N 0.239 109.059 108.800 0.032 0.000 2.168 690 G HA2 -0.359 3.602 3.960 0.000 0.000 0.257 690 G HA3 -0.359 3.602 3.960 0.000 0.000 0.257 690 G C 0.162 175.090 174.900 0.047 0.000 0.997 690 G CA 0.936 46.060 45.100 0.041 0.000 0.708 690 G HN 0.141 nan 8.290 nan 0.000 0.520 691 K N 0.661 121.086 120.400 0.042 0.000 2.144 691 K HA 0.403 4.723 4.320 0.000 0.000 0.270 691 K C -0.011 176.611 176.600 0.038 0.000 1.005 691 K CA -0.503 55.804 56.287 0.034 0.000 0.932 691 K CB 0.879 33.394 32.500 0.025 0.000 1.021 691 K HN 0.307 nan 8.250 nan 0.000 0.462 692 N N 1.969 120.675 118.700 0.010 0.000 2.314 692 N HA 0.321 5.061 4.740 0.000 0.000 0.294 692 N C -1.227 174.266 175.510 -0.028 0.000 1.029 692 N CA -0.488 52.535 53.050 -0.046 0.000 0.845 692 N CB 1.478 39.910 38.487 -0.091 0.000 1.321 692 N HN 0.393 nan 8.380 nan 0.000 0.481 693 F N 1.604 121.465 119.950 -0.148 0.000 2.458 693 F HA 0.473 5.000 4.527 0.000 0.000 0.336 693 F C -0.677 175.050 175.800 -0.122 0.000 1.114 693 F CA -0.674 57.247 58.000 -0.132 0.000 0.987 693 F CB 1.171 40.086 39.000 -0.142 0.000 1.130 693 F HN 0.092 nan 8.300 nan 0.000 0.458 694 V N 6.538 126.148 119.914 -0.506 0.000 2.448 694 V HA 0.384 4.504 4.120 0.000 0.000 0.295 694 V C -0.756 175.230 176.094 -0.179 0.000 1.025 694 V CA -0.860 61.295 62.300 -0.243 0.000 0.859 694 V CB 1.621 33.294 31.823 -0.250 0.000 0.988 694 V HN 0.522 nan 8.190 nan 0.000 0.431 695 V N 4.607 124.556 119.914 0.059 0.000 2.318 695 V HA 0.423 4.543 4.120 0.000 0.000 0.271 695 V C 0.403 176.513 176.094 0.026 0.000 1.030 695 V CA -0.295 62.064 62.300 0.098 0.000 0.844 695 V CB 1.320 33.275 31.823 0.219 0.000 1.015 695 V HN 0.978 nan 8.190 nan 0.000 0.460 696 S N 3.609 119.302 115.700 -0.011 0.000 2.489 696 S HA 0.845 5.315 4.470 0.000 0.000 0.291 696 S C -0.059 174.547 174.600 0.010 0.000 1.151 696 S CA -0.148 58.046 58.200 -0.010 0.000 1.082 696 S CB 1.967 65.146 63.200 -0.036 0.000 1.019 696 S HN 1.191 nan 8.310 nan 0.000 0.492 697 A N 2.006 124.835 122.820 0.015 0.000 3.370 697 A HA 0.756 5.076 4.320 0.000 0.000 0.295 697 A C 1.025 178.616 177.584 0.012 0.000 1.030 697 A CA -0.189 51.858 52.037 0.017 0.000 0.883 697 A CB -0.348 18.663 19.000 0.018 0.000 1.191 697 A HN 1.383 nan 8.150 nan 0.000 0.507 698 A N 0.067 122.892 122.820 0.008 0.000 2.070 698 A HA -0.083 4.237 4.320 0.000 0.000 0.220 698 A C 1.168 178.756 177.584 0.007 0.000 1.159 698 A CA 1.819 53.860 52.037 0.006 0.000 0.656 698 A CB -0.149 18.852 19.000 0.002 0.000 0.800 698 A HN 0.505 nan 8.150 nan 0.000 0.453 699 D N -0.116 120.288 120.400 0.007 0.000 2.328 699 D HA 0.026 4.666 4.640 0.000 0.000 0.221 699 D C 0.156 176.456 176.300 0.001 0.000 1.072 699 D CA -0.105 53.899 54.000 0.007 0.000 0.850 699 D CB -0.298 40.509 40.800 0.012 0.000 0.922 699 D HN 0.246 nan 8.370 nan 0.000 0.516 700 N N 1.234 119.932 118.700 -0.004 0.000 2.441 700 N HA 0.240 4.980 4.740 0.000 0.000 0.251 700 N C -0.558 174.934 175.510 -0.029 0.000 1.242 700 N CA 0.363 53.399 53.050 -0.023 0.000 0.898 700 N CB 0.711 39.179 38.487 -0.033 0.000 1.100 700 N HN 0.048 nan 8.380 nan 0.000 0.443 701 A N 0.862 123.654 122.820 -0.047 0.000 2.601 701 A HA 0.649 4.969 4.320 0.000 0.000 0.291 701 A C 0.442 177.984 177.584 -0.071 0.000 1.075 701 A CA -0.060 51.949 52.037 -0.047 0.000 0.671 701 A CB 0.060 19.045 19.000 -0.025 0.000 1.277 701 A HN 0.582 nan 8.150 nan 0.000 0.417 702 A N 0.174 122.954 122.820 -0.067 0.000 1.972 702 A HA -0.035 4.285 4.320 0.000 0.000 0.219 702 A C 1.126 178.660 177.584 -0.083 0.000 1.169 702 A CA 2.352 54.339 52.037 -0.084 0.000 0.635 702 A CB -0.535 18.427 19.000 -0.064 0.000 0.810 702 A HN 1.047 nan 8.150 nan 0.000 0.446 703 D N -1.490 118.879 120.400 -0.052 0.000 2.358 703 D HA 0.105 4.745 4.640 0.000 0.000 0.224 703 D C 0.364 176.648 176.300 -0.027 0.000 1.123 703 D CA -0.092 53.888 54.000 -0.034 0.000 0.833 703 D CB -0.252 40.546 40.800 -0.003 0.000 0.946 703 D HN 0.334 nan 8.370 nan 0.000 0.505 704 R N 1.036 121.501 120.500 -0.057 0.000 2.748 704 R HA 0.243 4.583 4.340 0.000 0.000 0.283 704 R C -2.012 174.222 176.300 -0.110 0.000 1.507 704 R CA -1.081 54.997 56.100 -0.038 0.000 1.666 704 R CB 1.500 31.798 30.300 -0.003 0.000 1.237 704 R HN 0.036 nan 8.270 nan 0.000 0.633 705 P HA -0.056 nan 4.420 nan 0.000 0.245 705 P C -0.449 176.666 177.300 -0.309 0.000 1.203 705 P CA 0.503 63.394 63.100 -0.349 0.000 0.792 705 P CB 0.351 31.733 31.700 -0.529 0.000 0.997 706 Y N 0.412 120.726 120.300 0.023 0.000 2.299 706 Y HA 0.284 4.834 4.550 0.000 0.000 0.326 706 Y C 1.353 177.280 175.900 0.045 0.000 1.164 706 Y CA -0.833 57.295 58.100 0.047 0.000 1.234 706 Y CB 0.390 38.877 38.460 0.044 0.000 1.219 706 Y HN -0.253 nan 8.280 nan 0.000 0.497 707 I N 4.118 124.834 120.570 0.242 0.000 2.301 707 I HA 0.226 4.396 4.170 0.000 0.000 0.292 707 I C 1.258 177.466 176.117 0.151 0.000 1.046 707 I CA -0.102 61.300 61.300 0.170 0.000 1.282 707 I CB 1.155 39.256 38.000 0.168 0.000 1.409 707 I HN 0.734 nan 8.210 nan 0.000 0.484 708 R N 5.924 126.489 120.500 0.107 0.000 2.066 708 R HA 0.127 4.467 4.340 0.000 0.000 0.224 708 R C 0.542 176.878 176.300 0.061 0.000 1.122 708 R CA 1.000 57.138 56.100 0.064 0.000 0.974 708 R CB 0.447 30.771 30.300 0.041 0.000 0.871 708 R HN 0.535 nan 8.270 nan 0.000 0.435 709 K N -0.964 119.478 120.400 0.071 0.000 2.512 709 K HA 0.575 4.895 4.320 0.000 0.000 0.263 709 K C -2.129 174.532 176.600 0.101 0.000 0.966 709 K CA -0.799 55.532 56.287 0.073 0.000 0.851 709 K CB 2.319 34.849 32.500 0.050 0.000 1.395 709 K HN 0.160 nan 8.250 nan 0.000 0.440 710 A N 3.159 126.056 122.820 0.129 0.000 2.455 710 A HA 0.598 4.918 4.320 0.000 0.000 0.300 710 A C -1.676 176.005 177.584 0.163 0.000 1.040 710 A CA -0.755 51.384 52.037 0.171 0.000 0.697 710 A CB 0.904 20.087 19.000 0.306 0.000 1.265 710 A HN 0.556 nan 8.150 nan 0.000 0.407 711 L N 2.301 123.576 121.223 0.086 0.000 2.322 711 L HA 0.565 4.905 4.340 0.000 0.000 0.281 711 L C -0.852 175.989 176.870 -0.048 0.000 1.014 711 L CA -0.875 53.993 54.840 0.047 0.000 0.815 711 L CB 1.696 43.761 42.059 0.009 0.000 1.247 711 L HN 0.655 nan 8.230 nan 0.000 0.421 712 L N 4.244 125.416 121.223 -0.085 0.000 2.280 712 L HA 0.386 4.726 4.340 0.000 0.000 0.287 712 L C 0.306 177.102 176.870 -0.124 0.000 1.023 712 L CA 0.177 54.872 54.840 -0.243 0.000 0.819 712 L CB 0.459 42.200 42.059 -0.529 0.000 1.212 712 L HN 0.659 nan 8.230 nan 0.000 0.420 713 N N 4.239 122.853 118.700 -0.143 0.000 2.716 713 N HA -0.230 4.510 4.740 0.000 0.000 0.250 713 N C 0.965 176.437 175.510 -0.063 0.000 1.033 713 N CA 0.739 53.726 53.050 -0.105 0.000 0.727 713 N CB -1.013 37.428 38.487 -0.077 0.000 0.950 713 N HN 1.215 nan 8.380 nan 0.000 0.541 714 G N -1.834 106.932 108.800 -0.058 0.000 2.205 714 G HA2 -0.353 3.607 3.960 0.000 0.000 0.261 714 G HA3 -0.353 3.607 3.960 0.000 0.000 0.261 714 G C -0.115 174.782 174.900 -0.004 0.000 0.980 714 G CA 0.398 45.481 45.100 -0.029 0.000 0.632 714 G HN 0.377 nan 8.290 nan 0.000 0.533 715 Q N 0.769 120.573 119.800 0.007 0.000 2.241 715 Q HA 0.441 4.781 4.340 0.000 0.000 0.254 715 Q C 0.318 176.367 176.000 0.081 0.000 0.917 715 Q CA -0.525 55.301 55.803 0.039 0.000 0.919 715 Q CB 1.428 30.193 28.738 0.046 0.000 1.237 715 Q HN 0.642 nan 8.270 nan 0.000 0.434 716 E N 2.026 122.272 120.200 0.078 0.000 2.529 716 E HA -0.019 4.331 4.350 0.000 0.000 0.259 716 E C -1.259 175.444 176.600 0.172 0.000 0.966 716 E CA 0.292 56.754 56.400 0.103 0.000 0.937 716 E CB 0.342 30.078 29.700 0.059 0.000 0.923 716 E HN 0.345 nan 8.360 nan 0.000 0.468 717 F N 3.825 123.776 119.950 0.000 0.000 2.536 717 F HA 0.249 4.776 4.527 0.000 0.000 0.322 717 F C 0.355 176.157 175.800 0.003 0.000 1.144 717 F CA -0.407 57.589 58.000 -0.006 0.000 0.924 717 F CB 1.761 40.760 39.000 -0.002 0.000 1.181 717 F HN 0.399 nan 8.300 nan 0.000 0.438 718 T N 1.323 115.575 114.554 -0.504 0.000 3.043 718 T HA 0.367 4.717 4.350 0.000 0.000 0.272 718 T C 0.639 175.027 174.700 -0.520 0.000 0.990 718 T CA -0.311 61.562 62.100 -0.378 0.000 0.897 718 T CB -0.072 68.696 68.868 -0.167 0.000 1.111 718 T HN 0.515 nan 8.240 nan 0.000 0.529 719 R N 1.884 121.794 120.500 -0.983 0.000 2.694 719 R HA 0.323 4.663 4.340 0.000 0.000 0.268 719 R C 0.058 176.107 176.300 -0.419 0.000 1.061 719 R CA -0.339 55.356 56.100 -0.675 0.000 1.133 719 R CB 0.218 30.022 30.300 -0.826 0.000 1.020 719 R HN 0.159 nan 8.270 nan 0.000 0.475 720 N N 1.553 120.236 118.700 -0.028 0.000 2.327 720 N HA 0.064 4.804 4.740 0.000 0.000 0.231 720 N C -1.112 174.581 175.510 0.305 0.000 1.130 720 N CA 0.121 53.261 53.050 0.151 0.000 0.845 720 N CB 0.161 38.759 38.487 0.185 0.000 1.073 720 N HN 0.477 nan 8.380 nan 0.000 0.496 721 Y N -2.537 117.841 120.300 0.131 0.000 2.624 721 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 721 Y C -1.579 174.476 175.900 0.259 0.000 1.155 721 Y CA -1.360 56.847 58.100 0.178 0.000 1.046 721 Y CB 0.836 39.355 38.460 0.099 0.000 1.316 721 Y HN -0.276 nan 8.280 nan 0.000 0.457 722 L N 2.746 124.106 121.223 0.228 0.000 2.334 722 L HA 0.648 4.988 4.340 0.000 0.000 0.276 722 L C 0.195 177.194 176.870 0.215 0.000 1.014 722 L CA -0.986 53.894 54.840 0.066 0.000 0.815 722 L CB 2.515 44.441 42.059 -0.221 0.000 1.268 722 L HN 0.953 nan 8.230 nan 0.000 0.428 723 T N -3.545 111.107 114.554 0.164 0.000 2.882 723 T HA 0.070 4.420 4.350 0.000 0.000 0.287 723 T C 1.080 175.895 174.700 0.192 0.000 1.014 723 T CA -0.322 61.914 62.100 0.226 0.000 1.049 723 T CB 0.901 69.883 68.868 0.190 0.000 1.001 723 T HN 0.623 nan 8.240 nan 0.000 0.525 724 H N 0.762 119.944 119.070 0.187 0.000 2.387 724 H HA -0.114 4.442 4.556 0.000 0.000 0.299 724 H C 1.190 176.548 175.328 0.051 0.000 1.090 724 H CA 2.163 58.330 56.048 0.198 0.000 1.332 724 H CB -0.019 29.867 29.762 0.208 0.000 1.386 724 H HN 0.702 nan 8.280 nan 0.000 0.516 725 D N 0.573 121.053 120.400 0.133 0.000 2.123 725 D HA -0.133 4.507 4.640 0.000 0.000 0.196 725 D C 2.157 178.445 176.300 -0.020 0.000 0.992 725 D CA 1.023 55.058 54.000 0.058 0.000 0.833 725 D CB -0.234 40.617 40.800 0.084 0.000 0.954 725 D HN 0.573 nan 8.370 nan 0.000 0.455 726 E N -0.127 120.051 120.200 -0.037 0.000 2.077 726 E HA -0.120 4.230 4.350 0.000 0.000 0.193 726 E C 2.311 178.808 176.600 -0.172 0.000 0.989 726 E CA 0.484 56.843 56.400 -0.069 0.000 0.800 726 E CB -0.011 29.642 29.700 -0.078 0.000 0.746 726 E HN 0.253 nan 8.360 nan 0.000 0.452 727 L N 0.687 121.657 121.223 -0.422 0.000 2.005 727 L HA -0.170 4.170 4.340 0.000 0.000 0.207 727 L C 2.533 179.242 176.870 -0.267 0.000 1.072 727 L CA 1.190 55.640 54.840 -0.650 0.000 0.744 727 L CB -0.309 41.258 42.059 -0.820 0.000 0.895 727 L HN -0.019 nan 8.230 nan 0.000 0.433 728 K N 0.140 120.369 120.400 -0.285 0.000 2.089 728 K HA -0.274 4.046 4.320 0.000 0.000 0.210 728 K C 2.114 178.686 176.600 -0.045 0.000 1.048 728 K CA 1.994 58.180 56.287 -0.169 0.000 0.926 728 K CB -0.083 32.334 32.500 -0.139 0.000 0.714 728 K HN 0.455 nan 8.250 nan 0.000 0.448 729 Q N -0.398 119.393 119.800 -0.015 0.000 2.472 729 Q HA 0.053 4.393 4.340 0.000 0.000 0.208 729 Q C 0.406 176.432 176.000 0.044 0.000 0.958 729 Q CA 0.596 56.410 55.803 0.019 0.000 0.932 729 Q CB 0.185 28.936 28.738 0.022 0.000 1.007 729 Q HN 0.232 nan 8.270 nan 0.000 0.508 730 G N -0.920 107.939 108.800 0.099 0.000 2.712 730 G HA2 0.220 4.181 3.960 0.000 0.000 0.686 730 G HA3 0.220 4.181 3.960 0.000 0.000 0.686 730 G C 0.043 174.980 174.900 0.062 0.000 1.321 730 G CA -0.471 44.693 45.100 0.106 0.000 0.813 730 G HN 1.070 nan 8.290 nan 0.000 0.599 731 G N -0.456 108.255 108.800 -0.148 0.000 2.288 731 G HA2 0.613 4.573 3.960 0.000 0.000 0.227 731 G HA3 0.613 4.573 3.960 0.000 0.000 0.227 731 G C -0.686 173.732 174.900 -0.804 0.000 1.339 731 G CA 0.728 45.621 45.100 -0.344 0.000 1.057 731 G HN 1.887 nan 8.290 nan 0.000 0.470 732 E N -1.107 118.608 120.200 -0.809 0.000 2.335 732 E HA 0.535 4.885 4.350 0.000 0.000 0.280 732 E C -1.929 174.349 176.600 -0.537 0.000 0.918 732 E CA -0.817 55.104 56.400 -0.798 0.000 0.765 732 E CB 2.100 31.555 29.700 -0.408 0.000 1.218 732 E HN 0.826 nan 8.360 nan 0.000 0.425 733 L N 4.627 125.606 121.223 -0.407 0.000 2.277 733 L HA 0.489 4.829 4.340 0.000 0.000 0.284 733 L C -1.201 175.619 176.870 -0.084 0.000 1.028 733 L CA -0.403 54.351 54.840 -0.144 0.000 0.835 733 L CB 0.938 43.028 42.059 0.051 0.000 1.215 733 L HN 0.454 nan 8.230 nan 0.000 0.425 734 N N 5.949 124.605 118.700 -0.072 0.000 2.462 734 N HA 0.344 5.084 4.740 0.000 0.000 0.242 734 N C -1.409 174.111 175.510 0.017 0.000 1.010 734 N CA -0.233 52.797 53.050 -0.034 0.000 0.939 734 N CB 0.398 38.858 38.487 -0.044 0.000 1.127 734 N HN 0.641 nan 8.380 nan 0.000 0.509 735 L N 1.708 122.952 121.223 0.034 0.000 2.309 735 L HA 0.434 4.774 4.340 0.000 0.000 0.282 735 L C 0.233 177.131 176.870 0.047 0.000 1.036 735 L CA -0.783 54.094 54.840 0.062 0.000 0.806 735 L CB 1.534 43.641 42.059 0.079 0.000 1.220 735 L HN 0.357 nan 8.230 nan 0.000 0.429 736 S N 4.115 119.847 115.700 0.054 0.000 2.420 736 S HA 0.537 5.007 4.470 0.000 0.000 0.313 736 S C -0.054 174.579 174.600 0.055 0.000 1.079 736 S CA -0.760 57.466 58.200 0.044 0.000 1.104 736 S CB 0.853 64.076 63.200 0.039 0.000 0.969 736 S HN 0.361 nan 8.310 nan 0.000 0.471 737 M N 2.962 122.590 119.600 0.046 0.000 2.342 737 M HA 0.527 5.007 4.480 0.000 0.000 0.332 737 M C -0.050 176.287 176.300 0.062 0.000 1.166 737 M CA -0.457 54.875 55.300 0.054 0.000 1.086 737 M CB 0.750 33.365 32.600 0.025 0.000 1.541 737 M HN 0.478 nan 8.290 nan 0.000 0.462 738 D N -0.532 119.929 120.400 0.102 0.000 2.570 738 D HA 0.387 5.027 4.640 0.000 0.000 0.244 738 D C 0.056 176.469 176.300 0.190 0.000 1.178 738 D CA -0.216 53.851 54.000 0.111 0.000 0.881 738 D CB 1.701 42.554 40.800 0.089 0.000 1.453 738 D HN 0.576 nan 8.370 nan 0.000 0.447 739 S N -0.801 114.992 115.700 0.154 0.000 2.556 739 S HA 0.268 4.738 4.470 0.000 0.000 0.216 739 S C 0.697 175.462 174.600 0.274 0.000 0.970 739 S CA 0.033 58.351 58.200 0.197 0.000 0.912 739 S CB -0.395 62.860 63.200 0.092 0.000 0.790 739 S HN 0.407 nan 8.310 nan 0.000 0.504 740 V N -1.744 118.243 119.914 0.122 0.000 2.914 740 V HA 0.739 4.859 4.120 0.000 0.000 0.314 740 V C -3.137 172.593 176.094 -0.606 0.000 1.084 740 V CA -3.014 59.158 62.300 -0.215 0.000 0.963 740 V CB 1.741 33.453 31.823 -0.186 0.000 1.025 740 V HN -0.056 nan 8.190 nan 0.000 0.432 741 P HA 0.184 nan 4.420 nan 0.000 0.271 741 P C -0.928 176.026 177.300 -0.576 0.000 1.218 741 P CA 0.010 62.479 63.100 -1.051 0.000 0.780 741 P CB 0.574 31.555 31.700 -1.199 0.000 0.901 742 N N 2.095 120.595 118.700 -0.334 0.000 2.500 742 N HA 0.060 4.800 4.740 0.000 0.000 0.236 742 N C 0.659 175.960 175.510 -0.349 0.000 1.022 742 N CA 0.018 52.913 53.050 -0.259 0.000 0.935 742 N CB 0.270 38.708 38.487 -0.082 0.000 1.147 742 N HN 0.237 nan 8.380 nan 0.000 0.512 743 Q N 1.396 120.851 119.800 -0.575 0.000 2.444 743 Q HA 0.053 4.393 4.340 0.000 0.000 0.206 743 Q C 0.721 176.593 176.000 -0.215 0.000 0.948 743 Q CA 0.648 55.982 55.803 -0.781 0.000 0.946 743 Q CB 0.409 28.603 28.738 -0.906 0.000 1.027 743 Q HN 0.685 nan 8.270 nan 0.000 0.513 744 Q N -0.062 119.674 119.800 -0.107 0.000 2.376 744 Q HA 0.062 4.402 4.340 0.000 0.000 0.206 744 Q C 0.540 176.575 176.000 0.057 0.000 0.921 744 Q CA 0.112 55.910 55.803 -0.010 0.000 0.911 744 Q CB 0.425 29.144 28.738 -0.032 0.000 1.032 744 Q HN 0.114 nan 8.270 nan 0.000 0.510 745 R N 0.326 120.876 120.500 0.083 0.000 2.254 745 R HA 0.291 4.631 4.340 0.000 0.000 0.318 745 R C 0.140 176.542 176.300 0.171 0.000 1.031 745 R CA 0.647 56.808 56.100 0.101 0.000 0.905 745 R CB 0.443 30.794 30.300 0.086 0.000 1.050 745 R HN 0.300 nan 8.270 nan 0.000 0.456 746 G N 2.941 111.803 108.800 0.103 0.000 2.198 746 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 746 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 746 G C 0.443 175.487 174.900 0.240 0.000 1.042 746 G CA 0.697 45.869 45.100 0.120 0.000 0.791 746 G HN 0.748 nan 8.290 nan 0.000 0.502 747 T N -3.400 111.284 114.554 0.215 0.000 3.054 747 T HA 0.408 4.758 4.350 0.000 0.000 0.255 747 T C 0.709 175.509 174.700 0.166 0.000 1.035 747 T CA 0.228 62.522 62.100 0.323 0.000 0.941 747 T CB 0.616 69.662 68.868 0.295 0.000 1.026 747 T HN 0.308 nan 8.240 nan 0.000 0.533 748 Q N 1.549 121.276 119.800 -0.123 0.000 2.227 748 Q HA 0.338 4.678 4.340 0.000 0.000 0.245 748 Q C -1.997 173.451 176.000 -0.920 0.000 0.926 748 Q CA -2.596 53.020 55.803 -0.311 0.000 0.895 748 Q CB 1.499 30.125 28.738 -0.185 0.000 1.230 748 Q HN 0.046 nan 8.270 nan 0.000 0.450 749 P HA -0.164 nan 4.420 nan 0.000 0.216 749 P C 0.754 177.720 177.300 -0.556 0.000 1.150 749 P CA 1.939 64.567 63.100 -0.787 0.000 0.837 749 P CB 0.172 31.749 31.700 -0.205 0.000 0.786 750 A N -0.435 122.188 122.820 -0.328 0.000 2.125 750 A HA -0.176 4.144 4.320 0.000 0.000 0.219 750 A C 1.706 179.214 177.584 -0.127 0.000 1.156 750 A CA 1.659 53.604 52.037 -0.154 0.000 0.671 750 A CB -1.044 17.895 19.000 -0.101 0.000 0.794 750 A HN 0.115 nan 8.150 nan 0.000 0.459 751 D N -1.050 119.178 120.400 -0.288 0.000 2.333 751 D HA 0.088 4.728 4.640 0.000 0.000 0.208 751 D C -0.163 176.232 176.300 0.157 0.000 0.984 751 D CA 0.216 54.143 54.000 -0.123 0.000 0.873 751 D CB -0.094 40.620 40.800 -0.143 0.000 0.935 751 D HN 0.338 nan 8.370 nan 0.000 0.521 752 F N 1.465 121.461 119.950 0.077 0.000 2.418 752 F HA 0.310 4.837 4.527 0.000 0.000 0.341 752 F C -1.544 174.163 175.800 -0.156 0.000 1.120 752 F CA -3.153 54.821 58.000 -0.044 0.000 1.232 752 F CB -0.360 38.615 39.000 -0.042 0.000 1.175 752 F HN -0.219 nan 8.300 nan 0.000 0.569 753 P HA 0.082 nan 4.420 nan 0.000 0.297 753 P C -0.927 176.239 177.300 -0.222 0.000 1.303 753 P CA -0.464 62.219 63.100 -0.695 0.000 0.753 753 P CB 0.319 31.556 31.700 -0.772 0.000 1.281 754 Y N 0.102 120.289 120.300 -0.189 0.000 2.578 754 Y HA 0.256 4.806 4.550 0.000 0.000 0.339 754 Y C -0.233 175.780 175.900 0.190 0.000 1.231 754 Y CA 1.306 59.433 58.100 0.044 0.000 1.461 754 Y CB 0.200 38.718 38.460 0.098 0.000 1.323 754 Y HN 0.176 nan 8.280 nan 0.000 0.590 755 S N 5.119 120.421 115.700 -0.663 0.000 2.536 755 S HA 0.082 4.552 4.470 0.000 0.000 0.271 755 S C -0.344 173.724 174.600 -0.887 0.000 1.134 755 S CA -0.780 57.086 58.200 -0.556 0.000 0.897 755 S CB 0.859 63.954 63.200 -0.174 0.000 1.094 755 S HN 0.757 nan 8.310 nan 0.000 0.473 756 Y N 3.112 123.080 120.300 -0.555 0.000 2.207 756 Y HA -0.162 4.388 4.550 0.000 0.000 0.287 756 Y C 1.997 177.847 175.900 -0.083 0.000 1.156 756 Y CA 2.216 60.244 58.100 -0.121 0.000 1.182 756 Y CB -0.166 38.439 38.460 0.242 0.000 0.979 756 Y HN 0.601 nan 8.280 nan 0.000 0.521 757 S N 0.032 115.617 115.700 -0.190 0.000 2.562 757 S HA 0.026 4.496 4.470 0.000 0.000 0.221 757 S C 0.905 175.401 174.600 -0.173 0.000 0.975 757 S CA -0.125 57.956 58.200 -0.199 0.000 0.918 757 S CB -0.145 63.040 63.200 -0.026 0.000 0.772 757 S HN 0.291 nan 8.310 nan 0.000 0.531 758 K N 0.000 120.292 120.400 -0.179 0.000 2.780 758 K HA 0.000 4.320 4.320 0.000 0.000 0.191 758 K CA 0.000 56.227 56.287 -0.100 0.000 0.838 758 K CB 0.000 32.440 32.500 -0.100 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543